3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

C307H160F6O129S2 — CID 157208465

IUPAC3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
SMILESCC(C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.CC1=CC(C2CC(=O)OC2=O)CC2C(=O)OC(=O)C12.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1CC(C2CC(=O)OC2=O)C(=O)O1.O=C1CC2C3CC(C(=O)OC3=O)C2C(=O)O1.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C23CC24C2(CC132)C12CC13C(=O)OC(=O)C31CC142.O=C1OC(=O)C2C(=O)OC(=O)C12.O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.O=C1OC(=O)C2C1CCC1C(=O)OC(=O)C12.O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12.O=C1OC(=O)c2c(F)c(Oc3c(F)c(F)c4c(c3F)C(=O)OC4=O)c(F)c(F)c21.O=C1OC(=O)c2c(Sc3cccc4c3C(=O)OC4=O)cccc21.O=C1OC(=O)c2c1cccc2-c1cccc2c1C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C29H14O6.C24H8O6.C22H10O6.C19H12O6.C17H6O7.C16F6O7.C16H6O7.2C16H6O6S.C16H8O6.C16H6O6.C13H12O6.C12H10O6.C12H12O6.C11H8O6.3C10H8O6.C8H4O6.C8H6O6.C6H2O6/c30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-19(2,9-3-5-11-13(7-9)17(22)24-15(11)20)10-4-6-12-14(8-10)18(23)25-16(12)21;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-5-1-3(15(25)28-13(1)23)7(19)11(9(5)21)27-12-8(20)4-2(6(18)10(12)22)14(24)29-16(4)26;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-7-3-1-5-9(11(7)15(19)21-13)23-10-6-2-4-8-12(10)16(20)22-14(8)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-5-9-1-13(9)14(2-10(9,14)6(18)21-5)16-4-12(16)8(20)22-7(19)11(12)3-15(11,13)16;17-13-9-5-1-3-7(11(9)15(19)21-13)8-4-2-6-10-12(8)16(20)22-14(10)18;1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16;13-6-2-4-3-1-5(7(4)10(14)17-6)9-8(3)11(15)18-12(9)16;1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3;12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15;11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7;11-7-3-1-2-4-6(5(3)9(13)15-7)10(14)16-8(4)12;9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12;7-3-1-2(5(9)11-3)6(10)12-4(1)8/h1-14H;1-8H;1-10H;3-8H,1-2H3;1-6H;;3*1-6H;1-4H2;1-6H;2,6-8,10H,3-4H2,1H3;3-5,7-9H,1-2H2;1-4H3;2-7H,1H2;3-5,7H,1-2H2;2*3-6H,1-2H2;1-4H;3-4H,1-2H2;1-2H
InChIKeyARPWCEBRXUWJKA-UHFFFAOYSA-N
MW6090.65 g/mol
LogP22.37
Rot. Bonds19

About 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione

3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (PubChem CID 157208465) has the molecular formula C307H160F6O129S2 and a molecular weight of 6090.65 g/mol. Its IUPAC name is 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
PubChem CID157208465
Molecular FormulaC307H160F6O129S2
Molecular Weight6090.65 g/mol
Exact Mass6086.53
IUPAC Name3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
SMILESCC(C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.CC1=CC(C2CC(=O)OC2=O)CC2C(=O)OC(=O)C12.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1CC(C2CC(=O)OC2=O)C(=O)O1.O=C1CC2C3CC(C(=O)OC3=O)C2C(=O)O1.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C23CC24C2(CC132)C12CC13C(=O)OC(=O)C31CC142.O=C1OC(=O)C2C(=O)OC(=O)C12.O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.O=C1OC(=O)C2C1CCC1C(=O)OC(=O)C12.O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12.O=C1OC(=O)c2c(F)c(Oc3c(F)c(F)c4c(c3F)C(=O)OC4=O)c(F)c(F)c21.O=C1OC(=O)c2c(Sc3cccc4c3C(=O)OC4=O)cccc21.O=C1OC(=O)c2c1cccc2-c1cccc2c1C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C29H14O6.C24H8O6.C22H10O6.C19H12O6.C17H6O7.C16F6O7.C16H6O7.2C16H6O6S.C16H8O6.C16H6O6.C13H12O6.C12H10O6.C12H12O6.C11H8O6.3C10H8O6.C8H4O6.C8H6O6.C6H2O6/c30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-19(2,9-3-5-11-13(7-9)17(22)24-15(11)20)10-4-6-12-14(8-10)18(23)25-16(12)21;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-5-1-3(15(25)28-13(1)23)7(19)11(9(5)21)27-12-8(20)4-2(6(18)10(12)22)14(24)29-16(4)26;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-7-3-1-5-9(11(7)15(19)21-13)23-10-6-2-4-8-12(10)16(20)22-14(8)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-5-9-1-13(9)14(2-10(9,14)6(18)21-5)16-4-12(16)8(20)22-7(19)11(12)3-15(11,13)16;17-13-9-5-1-3-7(11(9)15(19)21-13)8-4-2-6-10-12(8)16(20)22-14(10)18;1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16;13-6-2-4-3-1-5(7(4)10(14)17-6)9-8(3)11(15)18-12(9)16;1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3;12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15;11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7;11-7-3-1-2-4-6(5(3)9(13)15-7)10(14)16-8(4)12;9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12;7-3-1-2(5(9)11-3)6(10)12-4(1)8/h1-14H;1-8H;1-10H;3-8H,1-2H3;1-6H;;3*1-6H;1-4H2;1-6H;2,6-8,10H,3-4H2,1H3;3-5,7-9H,1-2H2;1-4H3;2-7H,1H2;3-5,7H,1-2H2;2*3-6H,1-2H2;1-4H;3-4H,1-2H2;1-2H
InChIKeyARPWCEBRXUWJKA-UHFFFAOYSA-N
XLogP22.37
TPSA1857.07 Ų
H-Bond Donors
H-Bond Acceptors131
Rotatable Bonds19
Heavy Atoms444
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006090.65
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10131

Analyze 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;bis(1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone);4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 158069980
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;methane;5-[(1-methylidene-3-oxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 158931607
4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;4-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-[4-(2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;4-methyl-4-[4-(4-methyl-2,6-dioxooxan-4-yl)phenyl]oxane-2,6-dione
CID 161134720
5-[4-[9-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 158948601
5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 158523970
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[3-(1,3-dioxoinden-5-yl)oxyphenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 161062415
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfinyl]-2-benzofuran-1,3-dione
CID 162254567
2-(1,3-dioxoindene-5-carbonyl)oxyethyl 1,3-dioxo-2-benzofuran-5-carboxylate;5-[(1,3-dioxoinden-5-yl)methyl]-2-benzofuran-1,3-dione;5-(1,3-dioxoinden-5-yl)oxy-2-benzofuran-1,3-dione;5-[2-(1,3-dioxoinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;5-(1,3-dioxoinden-5-yl)sulfonyl-2-benzofuran-1,3-dione;4-oxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;7-oxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-6,8,12,16,18-pentone
CID 158757832
bis(3,4-dimethylphenyl)methanone;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2,4,5-tetramethylcyclohexane;1,3-xylene;1,4-xylene
CID 161163266
2-methyl-5-[4-[2-[4-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58823050
bis(2-benzofuran-1,3-dione);5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]-2-benzofuran-1,3-dione;ethane;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 157130062
3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone;4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone;4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)methyl]-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 157206338

Frequently Asked Questions

What is the IUPAC name of 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The IUPAC name of 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione (CID 157208465) is 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is CC(C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.CC12C(=O)OC(=O)C1(C)C1(C)C(=O)OC(=O)C21C.CC1=CC(C2CC(=O)OC2=O)CC2C(=O)OC(=O)C12.O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.O=C1CC(C2CC(=O)OC2=O)C(=O)O1.O=C1CC2C3CC(C(=O)OC3=O)C2C(=O)O1.O=C1CC2C3CC(C2C(=O)O1)C1C(=O)OC(=O)C31.O=C1OC(=O)C23CC24C2(CC132)C12CC13C(=O)OC(=O)C31CC142.O=C1OC(=O)C2C(=O)OC(=O)C12.O=C1OC(=O)C2C1C1C(=O)OC(=O)C21.O=C1OC(=O)C2C1CCC1C(=O)OC(=O)C12.O=C1OC(=O)C2C3CC(C12)C1C(=O)OC(=O)C31.O=C1OC(=O)C2CC3C(=O)OC(=O)C3CC12.O=C1OC(=O)c2c(F)c(Oc3c(F)c(F)c4c(c3F)C(=O)OC4=O)c(F)c(F)c21.O=C1OC(=O)c2c(Sc3cccc4c3C(=O)OC4=O)cccc21.O=C1OC(=O)c2c1cccc2-c1cccc2c1C(=O)OC2=O.O=C1OC(=O)c2cc(-c3ccc(-c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C3(c4ccc5c(c4)C(=O)OC5=O)c4ccccc4-c4ccccc43)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21.O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O.
What is the InChIKey of 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
The InChIKey is ARPWCEBRXUWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14O6.C24H8O6.C22H10O6.C19H12O6.C17H6O7.C16F6O7.C16H6O7.2C16H6O6S.C16H8O6.C16H6O6.C13H12O6.C12H10O6.C12H12O6.C11H8O6.3C10H8O6.C8H4O6.C8H6O6.C6H2O6/c30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29;25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11;23-19-15-7-5-13(9-17(15)21(25)27-19)11-1-2-12(4-3-11)14-6-8-16-18(10-14)22(26)28-20(16)24;1-19(2,9-3-5-11-13(7-9)17(22)24-15(11)20)10-4-6-12-14(8-10)18(23)25-16(12)21;18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20;17-5-1-3(15(25)28-13(1)23)7(19)11(9(5)21)27-12-8(20)4-2(6(18)10(12)22)14(24)29-16(4)26;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-7-3-1-5-9(11(7)15(19)21-13)23-10-6-2-4-8-12(10)16(20)22-14(8)18;17-13-8-5-4-7(6-10(8)15(19)21-13)23-11-3-1-2-9-12(11)16(20)22-14(9)18;17-5-9-1-13(9)14(2-10(9,14)6(18)21-5)16-4-12(16)8(20)22-7(19)11(12)3-15(11,13)16;17-13-9-5-1-3-7(11(9)15(19)21-13)8-4-2-6-10-12(8)16(20)22-14(10)18;1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16;13-6-2-4-3-1-5(7(4)10(14)17-6)9-8(3)11(15)18-12(9)16;1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3;12-8-4-2-1-3(6(4)10(14)16-8)7-5(2)9(13)17-11(7)15;11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7;11-7-3-1-2-4-6(5(3)9(13)15-7)10(14)16-8(4)12;9-5-1-2(6(10)13-5)4-3(1)7(11)14-8(4)12;9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12;7-3-1-2(5(9)11-3)6(10)12-4(1)8/h1-14H;1-8H;1-10H;3-8H,1-2H3;1-6H;;3*1-6H;1-4H2;1-6H;2,6-8,10H,3-4H2,1H3;3-5,7-9H,1-2H2;1-4H3;2-7H,1H2;3-5,7H,1-2H2;2*3-6H,1-2H2;1-4H;3-4H,1-2H2;1-2H.
What are the key properties of 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione?
3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione has a molecular weight of 6090.65 g/mol, XLogP of 22.37, 19 rotatable bonds, 0 hydrogen bond donors, and 131 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;3a,4,5,5a,8a,8b-hexahydrofuro[3,4-e][2]benzofuran-1,3,6,8-tetrone;3a,6a-dihydrofuro[3,4-c]furan-1,3,4,6-tetrone;7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;6,15-dioxanonacyclo[9.7.0.01,17.02,4.02,10.04,8.08,10.011,13.013,17]octadecane-5,7,14,16-tetrone;4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,10,12-tetrone;4,10-dioxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone;4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone;5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione;4-(1,3-dioxo-2-benzofuran-4-yl)-2-benzofuran-1,3-dione;5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione;4-[(1,3-dioxo-2-benzofuran-5-yl)sulfanyl]-2-benzofuran-1,3-dione;5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione;3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;4,5,7-trifluoro-6-[(4,6,7-trifluoro-1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 157208465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).