1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate

C188H158Br3F17I12O38S11 — CID 162223835

IUPAC1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate
SMILESCC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCOC(=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)c1cc(Br)cc(Br)c1Br.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1O.O=C(OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1O.O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H35F5O8S.C21H28I.C18H14FS.C18H14IS.C18H13OS.2C18H13S.C13H10F3I3O7S.C10H6Br3F3O5S.C10H7F3I2O6S.C9H8I2O6S.C8H3F2I3O5S/c1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;14-13(15,16)9(5-27(22,23)24)26-10(20)1-2-25-12(21)7-3-6(17)4-8(18)11(7)19;11-4-1-5(8(13)6(12)2-4)9(17)21-7(10(14,15)16)3-22(18,19)20;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16;10-5-3-6(8(12)7(11)4-5)9(13)17-1-2-18(14,15)16;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);7-16H,1-6H3;2*1-14H;1-13H;2*1-13H;3-4,9H,1-2,5H2,(H,22,23,24);1-2,7H,3H2,(H,18,19,20);1-2,7,16H,3H2,(H,18,19,20);3-4,12H,1-2H2,(H,14,15,16);1-2H,(H,15,16,17)/q;6*+1;;;;;/p-6/t13?,14-,16+,17-,18-,22-,23?,24-,25+;;;;;;;;;;;/m0.........../s1
InChIKeyZUMIJSMPZDOHHB-DCBBJRHWSA-H
MW5463.56 g/mol
LogP47.20
Rot. Bonds43

About 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate

1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate (PubChem CID 162223835) has the molecular formula C188H158Br3F17I12O38S11 and a molecular weight of 5463.56 g/mol. Its IUPAC name is 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate.

Molecular Properties

Compound Name1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate
PubChem CID162223835
Molecular FormulaC188H158Br3F17I12O38S11
Molecular Weight5463.56 g/mol
Exact Mass5457.32
IUPAC Name1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate
SMILESCC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCOC(=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)c1cc(Br)cc(Br)c1Br.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1O.O=C(OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1O.O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H35F5O8S.C21H28I.C18H14FS.C18H14IS.C18H13OS.2C18H13S.C13H10F3I3O7S.C10H6Br3F3O5S.C10H7F3I2O6S.C9H8I2O6S.C8H3F2I3O5S/c1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;14-13(15,16)9(5-27(22,23)24)26-10(20)1-2-25-12(21)7-3-6(17)4-8(18)11(7)19;11-4-1-5(8(13)6(12)2-4)9(17)21-7(10(14,15)16)3-22(18,19)20;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16;10-5-3-6(8(12)7(11)4-5)9(13)17-1-2-18(14,15)16;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);7-16H,1-6H3;2*1-14H;1-13H;2*1-13H;3-4,9H,1-2,5H2,(H,22,23,24);1-2,7H,3H2,(H,18,19,20);1-2,7,16H,3H2,(H,18,19,20);3-4,12H,1-2H2,(H,14,15,16);1-2H,(H,15,16,17)/q;6*+1;;;;;/p-6/t13?,14-,16+,17-,18-,22-,23?,24-,25+;;;;;;;;;;;/m0.........../s1
InChIKeyZUMIJSMPZDOHHB-DCBBJRHWSA-H
XLogP47.20
TPSA628.20 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds43
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005463.56
LogP ≤ 547.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate?
The IUPAC name of 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate (CID 162223835) is 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate.
What is the SMILES notation for 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate?
The canonical SMILES for 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate is CC(C)c1cc(C(C)C)c([I+]c2ccccc2)c(C(C)C)c1.CC(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Ic1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCOC(=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)c1cc(Br)cc(Br)c1Br.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1O.O=C(OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1O.O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate?
The InChIKey is ZUMIJSMPZDOHHB-DCBBJRHWSA-H. The full InChI is InChI=1S/C27H35F5O8S.C21H28I.C18H14FS.C18H14IS.C18H13OS.2C18H13S.C13H10F3I3O7S.C10H6Br3F3O5S.C10H7F3I2O6S.C9H8I2O6S.C8H3F2I3O5S/c1-13(4-7-21(36)40-23(26(28,29)30)27(31,32)41(37,38)39)16-5-6-17-22-18(12-20(35)25(16,17)3)24(2)9-8-15(33)10-14(24)11-19(22)34;1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22-18-10-8-7-9-11-18;2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;14-13(15,16)9(5-27(22,23)24)26-10(20)1-2-25-12(21)7-3-6(17)4-8(18)11(7)19;11-4-1-5(8(13)6(12)2-4)9(17)21-7(10(14,15)16)3-22(18,19)20;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16;10-5-3-6(8(12)7(11)4-5)9(13)17-1-2-18(14,15)16;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h13-14,16-18,22-23H,4-12H2,1-3H3,(H,37,38,39);7-16H,1-6H3;2*1-14H;1-13H;2*1-13H;3-4,9H,1-2,5H2,(H,22,23,24);1-2,7H,3H2,(H,18,19,20);1-2,7,16H,3H2,(H,18,19,20);3-4,12H,1-2H2,(H,14,15,16);1-2H,(H,15,16,17)/q;6*+1;;;;;/p-6/t13?,14-,16+,17-,18-,22-,23?,24-,25+;;;;;;;;;;;/m0.........../s1.
What are the key properties of 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate?
1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate has a molecular weight of 5463.56 g/mol, XLogP of 47.20, 43 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;2-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(4-fluorophenyl)-diphenylsulfanium;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(4-iodophenyl)-diphenylsulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;phenyl-[2,4,6-tri(propan-2-yl)phenyl]iodanium;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,3,5-tribromobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxypropanoyloxy]propane-1-sulfonate is sourced from PubChem (CID 162223835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).