1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate

C152H122F22I24O58S8-8 — CID 159317000

IUPAC1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate
SMILESCC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].O=C(CC1C2CCC(C2)C1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1ccc(OC(=O)c2cc(I)cc(I)c2I)cc1.O=C(OC1CC2CC1CC2C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OC1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c2ccccc12)c1cc(I)cc(I)c1I
InChIInChI=1S/C21H12F3I3O7S.C21H21F2I3O7S.C20H20F3I3O7S.C19H20F3I3O7S.C19H15F2I3O9S.C18H16F3I3O7S.C17H16F3I3O7S.C17H10F3I3O7S/c22-21(23,24)17(9-35(30,31)32)34-19(28)13-5-6-16(12-4-2-1-3-11(12)13)33-20(29)14-7-10(25)8-15(26)18(14)27;1-10(21(22,23)34(29,30)31)32-18(28)19-5-11-2-12(6-19)8-20(7-11,9-19)33-17(27)14-3-13(24)4-15(25)16(14)26;21-20(22,23)16(8-34(29,30)31)33-17(27)6-12-9-1-2-10(3-9)14(12)7-32-19(28)13-4-11(24)5-15(25)18(13)26;20-19(21,22)15(9-33(28,29)30)32-16(26)5-10-3-1-2-4-11(10)8-31-18(27)13-6-12(23)7-14(24)17(13)25;1-5(19(20,21)34(28,29)30)31-17(26)11-7-4-8-12(11)18(27)33-15(8)14(7)32-16(25)9-2-6(22)3-10(23)13(9)24;19-18(20,21)14(6-32(27,28)29)31-16(25)10-2-8-1-7(10)3-13(8)30-17(26)11-4-9(22)5-12(23)15(11)24;2*18-17(19,20)13(7-31(26,27)28)30-15(24)8-1-3-10(4-2-8)29-16(25)11-5-9(21)6-12(22)14(11)23/h1-8,17H,9H2,(H,30,31,32);3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4-5,9-10,12,14,16H,1-3,6-8H2,(H,29,30,31);6-7,10-11,15H,1-5,8-9H2,(H,28,29,30);2-3,5,7-8,11-12,14-15H,4H2,1H3,(H,28,29,30);4-5,7-8,10,13-14H,1-3,6H2,(H,27,28,29);5-6,8,10,13H,1-4,7H2,(H,26,27,28);1-6,13H,7H2,(H,26,27,28)/p-8
InChIKeyLDGNUNCIYWGHKI-UHFFFAOYSA-F
MW6596.78 g/mol
LogP35.76
Rot. Bonds52

About 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate

1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate (PubChem CID 159317000) has the molecular formula C152H122F22I24O58S8-8 and a molecular weight of 6596.78 g/mol. Its IUPAC name is 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate.

Molecular Properties

Compound Name1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate
PubChem CID159317000
Molecular FormulaC152H122F22I24O58S8-8
Molecular Weight6596.78 g/mol
Exact Mass6594.11
IUPAC Name1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate
SMILESCC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].O=C(CC1C2CCC(C2)C1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1ccc(OC(=O)c2cc(I)cc(I)c2I)cc1.O=C(OC1CC2CC1CC2C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OC1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c2ccccc12)c1cc(I)cc(I)c1I
InChIInChI=1S/C21H12F3I3O7S.C21H21F2I3O7S.C20H20F3I3O7S.C19H20F3I3O7S.C19H15F2I3O9S.C18H16F3I3O7S.C17H16F3I3O7S.C17H10F3I3O7S/c22-21(23,24)17(9-35(30,31)32)34-19(28)13-5-6-16(12-4-2-1-3-11(12)13)33-20(29)14-7-10(25)8-15(26)18(14)27;1-10(21(22,23)34(29,30)31)32-18(28)19-5-11-2-12(6-19)8-20(7-11,9-19)33-17(27)14-3-13(24)4-15(25)16(14)26;21-20(22,23)16(8-34(29,30)31)33-17(27)6-12-9-1-2-10(3-9)14(12)7-32-19(28)13-4-11(24)5-15(25)18(13)26;20-19(21,22)15(9-33(28,29)30)32-16(26)5-10-3-1-2-4-11(10)8-31-18(27)13-6-12(23)7-14(24)17(13)25;1-5(19(20,21)34(28,29)30)31-17(26)11-7-4-8-12(11)18(27)33-15(8)14(7)32-16(25)9-2-6(22)3-10(23)13(9)24;19-18(20,21)14(6-32(27,28)29)31-16(25)10-2-8-1-7(10)3-13(8)30-17(26)11-4-9(22)5-12(23)15(11)24;2*18-17(19,20)13(7-31(26,27)28)30-15(24)8-1-3-10(4-2-8)29-16(25)11-5-9(21)6-12(22)14(11)23/h1-8,17H,9H2,(H,30,31,32);3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4-5,9-10,12,14,16H,1-3,6-8H2,(H,29,30,31);6-7,10-11,15H,1-5,8-9H2,(H,28,29,30);2-3,5,7-8,11-12,14-15H,4H2,1H3,(H,28,29,30);4-5,7-8,10,13-14H,1-3,6H2,(H,27,28,29);5-6,8,10,13H,1-4,7H2,(H,26,27,28);1-6,13H,7H2,(H,26,27,28)/p-8
InChIKeyLDGNUNCIYWGHKI-UHFFFAOYSA-F
XLogP35.76
TPSA904.70 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds52
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006596.78
LogP ≤ 535.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate?
The IUPAC name of 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate (CID 159317000) is 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate.
What is the SMILES notation for 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate?
The canonical SMILES for 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate is CC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)c1cc(I)cc(I)c1I)C(F)(F)S(=O)(=O)[O-].O=C(CC1C2CCC(C2)C1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1COC(=O)c1cc(I)cc(I)c1I)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1ccc(OC(=O)c2cc(I)cc(I)c2I)cc1.O=C(OC1CC2CC1CC2C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1I.O=C(OC1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1)c1cc(I)cc(I)c1I.O=C(Oc1ccc(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c2ccccc12)c1cc(I)cc(I)c1I.
What is the InChIKey of 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate?
The InChIKey is LDGNUNCIYWGHKI-UHFFFAOYSA-F. The full InChI is InChI=1S/C21H12F3I3O7S.C21H21F2I3O7S.C20H20F3I3O7S.C19H20F3I3O7S.C19H15F2I3O9S.C18H16F3I3O7S.C17H16F3I3O7S.C17H10F3I3O7S/c22-21(23,24)17(9-35(30,31)32)34-19(28)13-5-6-16(12-4-2-1-3-11(12)13)33-20(29)14-7-10(25)8-15(26)18(14)27;1-10(21(22,23)34(29,30)31)32-18(28)19-5-11-2-12(6-19)8-20(7-11,9-19)33-17(27)14-3-13(24)4-15(25)16(14)26;21-20(22,23)16(8-34(29,30)31)33-17(27)6-12-9-1-2-10(3-9)14(12)7-32-19(28)13-4-11(24)5-15(25)18(13)26;20-19(21,22)15(9-33(28,29)30)32-16(26)5-10-3-1-2-4-11(10)8-31-18(27)13-6-12(23)7-14(24)17(13)25;1-5(19(20,21)34(28,29)30)31-17(26)11-7-4-8-12(11)18(27)33-15(8)14(7)32-16(25)9-2-6(22)3-10(23)13(9)24;19-18(20,21)14(6-32(27,28)29)31-16(25)10-2-8-1-7(10)3-13(8)30-17(26)11-4-9(22)5-12(23)15(11)24;2*18-17(19,20)13(7-31(26,27)28)30-15(24)8-1-3-10(4-2-8)29-16(25)11-5-9(21)6-12(22)14(11)23/h1-8,17H,9H2,(H,30,31,32);3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4-5,9-10,12,14,16H,1-3,6-8H2,(H,29,30,31);6-7,10-11,15H,1-5,8-9H2,(H,28,29,30);2-3,5,7-8,11-12,14-15H,4H2,1H3,(H,28,29,30);4-5,7-8,10,13-14H,1-3,6H2,(H,27,28,29);5-6,8,10,13H,1-4,7H2,(H,26,27,28);1-6,13H,7H2,(H,26,27,28)/p-8.
What are the key properties of 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate?
1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate has a molecular weight of 6596.78 g/mol, XLogP of 35.76, 52 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate is sourced from PubChem (CID 159317000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).