2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)

C385H397F55O76S22 — CID 160750291

IUPAC2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)
SMILESCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C(C)(C(C)C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC12.CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C)C1(C)CC2C(=O)CC3CC(=O)CCC3(C)C2CC1=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H47F5O9S.C26H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.C18H14OS.8C18H15S.C16H19F5O7S.C15H19F5O5S.C14H13F5O9S.C14H17F5O6S.3C8H11F5O5S/c1-16-10-11-28(6)21(12-16)13-24(43-19(4)37)22-15-29(7,25(14-23(22)28)44-20(5)38)18(3)17(2)8-9-26(39)45-27(30(32,33)34)31(35,36)46(40,41)42;1-13(5-6-21(35)39-22(25(27,28)29)26(30,31)40(36,37)38)14(2)24(4)12-17-18(11-20(24)34)23(3)8-7-16(32)9-15(23)10-19(17)33;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;16-14(17,18)12(15(19,20)26(22,23)24)25-11(21)7-13-4-8-1-9(5-13)3-10(2-8)6-13;1-3(20)26-8-4-2-5-6(10(21)27-9(5)8)7(4)11(22)28-12(13(15,16)17)14(18,19)29(23,24)25;15-13(16,17)9(14(18,19)26(22,23)24)25-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;3*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17/h16-18,21-25,27H,8-15H2,1-7H3,(H,40,41,42);13-15,17-18,22H,5-12H2,1-4H3,(H,36,37,38);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;1-14H;8*1-15H;8-10,12H,1-7H2,(H,24,25,26);8-10,12H,1-7H2,(H,22,23,24);4-9,12H,2H2,1H3,(H,23,24,25);7-9,21H,1-6H2,(H,22,23,24);3*4H,1-3H3,(H,15,16,17)/q;;;+1;;+1;;8*+1;;;;;;;/p-10
InChIKeyRWSNJBQRAMZAAY-UHFFFAOYSA-D
MW7990.70 g/mol
LogP83.73
Rot. Bonds91

About 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)

2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) (PubChem CID 160750291) has the molecular formula C385H397F55O76S22 and a molecular weight of 7990.70 g/mol. Its IUPAC name is 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)
PubChem CID160750291
Molecular FormulaC385H397F55O76S22
Molecular Weight7990.70 g/mol
Exact Mass7984.02
IUPAC Name2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)
SMILESCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C(C)(C(C)C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC12.CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C)C1(C)CC2C(=O)CC3CC(=O)CCC3(C)C2CC1=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H47F5O9S.C26H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.C18H14OS.8C18H15S.C16H19F5O7S.C15H19F5O5S.C14H13F5O9S.C14H17F5O6S.3C8H11F5O5S/c1-16-10-11-28(6)21(12-16)13-24(43-19(4)37)22-15-29(7,25(14-23(22)28)44-20(5)38)18(3)17(2)8-9-26(39)45-27(30(32,33)34)31(35,36)46(40,41)42;1-13(5-6-21(35)39-22(25(27,28)29)26(30,31)40(36,37)38)14(2)24(4)12-17-18(11-20(24)34)23(3)8-7-16(32)9-15(23)10-19(17)33;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;16-14(17,18)12(15(19,20)26(22,23)24)25-11(21)7-13-4-8-1-9(5-13)3-10(2-8)6-13;1-3(20)26-8-4-2-5-6(10(21)27-9(5)8)7(4)11(22)28-12(13(15,16)17)14(18,19)29(23,24)25;15-13(16,17)9(14(18,19)26(22,23)24)25-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;3*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17/h16-18,21-25,27H,8-15H2,1-7H3,(H,40,41,42);13-15,17-18,22H,5-12H2,1-4H3,(H,36,37,38);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;1-14H;8*1-15H;8-10,12H,1-7H2,(H,24,25,26);8-10,12H,1-7H2,(H,22,23,24);4-9,12H,2H2,1H3,(H,23,24,25);7-9,21H,1-6H2,(H,22,23,24);3*4H,1-3H3,(H,15,16,17)/q;;;+1;;+1;;8*+1;;;;;;;/p-10
InChIKeyRWSNJBQRAMZAAY-UHFFFAOYSA-D
XLogP83.73
TPSA1220.57 Ų
H-Bond Donors2
H-Bond Acceptors76
Rotatable Bonds91
Heavy Atoms538
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007990.70
LogP ≤ 583.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1076

Analyze 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)?
The IUPAC name of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) (CID 160750291) is 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium).
What is the SMILES notation for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)?
The canonical SMILES for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) is CC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C(C)(C(C)C(C)CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])CC12.CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C)C1(C)CC2C(=O)CC3CC(=O)CCC3(C)C2CC1=O.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CC12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)?
The InChIKey is RWSNJBQRAMZAAY-UHFFFAOYSA-D. The full InChI is InChI=1S/C31H47F5O9S.C26H35F5O8S.C23H25F5O9S.C22H23S.C19H25F5O7S.C19H17S.C18H14OS.8C18H15S.C16H19F5O7S.C15H19F5O5S.C14H13F5O9S.C14H17F5O6S.3C8H11F5O5S/c1-16-10-11-28(6)21(12-16)13-24(43-19(4)37)22-15-29(7,25(14-23(22)28)44-20(5)38)18(3)17(2)8-9-26(39)45-27(30(32,33)34)31(35,36)46(40,41)42;1-13(5-6-21(35)39-22(25(27,28)29)26(30,31)40(36,37)38)14(2)24(4)12-17-18(11-20(24)34)23(3)8-7-16(32)9-15(23)10-19(17)33;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-15(2,3)13(25)31-17-7-10-4-11(8-17)6-16(5-10,9-17)14(26)30-12(18(20,21)22)19(23,24)32(27,28)29;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;16-14(17,18)12(15(19,20)26(22,23)24)25-11(21)7-13-4-8-1-9(5-13)3-10(2-8)6-13;1-3(20)26-8-4-2-5-6(10(21)27-9(5)8)7(4)11(22)28-12(13(15,16)17)14(18,19)29(23,24)25;15-13(16,17)9(14(18,19)26(22,23)24)25-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;3*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17/h16-18,21-25,27H,8-15H2,1-7H3,(H,40,41,42);13-15,17-18,22H,5-12H2,1-4H3,(H,36,37,38);8-16,19H,1-7H2,(H,32,33,34);4-17H,1-3H3;10-12H,4-9H2,1-3H3,(H,27,28,29);2-15H,1H3;1-14H;8*1-15H;8-10,12H,1-7H2,(H,24,25,26);8-10,12H,1-7H2,(H,22,23,24);4-9,12H,2H2,1H3,(H,23,24,25);7-9,21H,1-6H2,(H,22,23,24);3*4H,1-3H3,(H,15,16,17)/q;;;+1;;+1;;8*+1;;;;;;;/p-10.
What are the key properties of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium)?
2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) has a molecular weight of 7990.70 g/mol, XLogP of 83.73, 91 rotatable bonds, 2 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[5-(2,4b-dimethyl-3,7,10-trioxo-4,4a,5,6,8,8a,9,10a-octahydro-1H-phenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;2-[5-(3,10-diacetyloxy-2,4b,7-trimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl)-4-methylhexanoyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(2,2-dimethylpropanoyloxy)adamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;octakis(triphenylsulfanium) is sourced from PubChem (CID 160750291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).