1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate

C145H122F14I24O62S10-10 — CID 158328400

IUPAC1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate
SMILESCC(OC(=O)c1cc(C(=O)Oc2c(I)cc(I)cc2I)c(C(=O)Oc2c(I)cc(I)cc2I)cc1C(=O)Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(CC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCCc1cccc(I)c1.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCc1ccccc1I.O=C(OCc1cc(I)cc(I)c1I)C12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=C(OCc1ccc(I)cc1)C1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1.O=S(=O)([O-])CCOc1c(I)cc(I)cc1I.O=S(=O)([O-])CCOc1ccc(I)cc1.O=S(=O)([O-])CCOc1cccc(I)c1.O=S(=O)([O-])CCOc1ccccc1I
InChIInChI=1S/C31H13F2I9O11S.C22H22F3I3O7S.C18H20F3IO7S.C16H18F3IO7S.C15H16F3IO7S.C11H9I3O7S.C8H7I3O4S.3C8H9IO4S/c1-10(31(32,33)54(47,48)49)50-27(43)14-8-16(29(45)52-25-20(39)4-12(35)5-21(25)40)17(30(46)53-26-22(41)6-13(36)7-23(26)42)9-15(14)28(44)51-24-18(37)2-11(34)3-19(24)38;23-22(24,25)16(9-36(31,32)33)35-19(30)21-6-11-1-12(7-21)5-20(4-11,10-21)18(29)34-8-13-2-14(26)3-15(27)17(13)28;19-18(20,21)15(10-30(25,26)27)29-17(24)13-5-3-12(4-6-13)16(23)28-9-11-1-7-14(22)8-2-11;17-16(18,19)13(10-28(23,24)25)27-15(22)6-2-5-14(21)26-8-7-11-3-1-4-12(20)9-11;16-15(17,18)12(9-27(22,23)24)26-14(21)7-3-6-13(20)25-8-10-4-1-2-5-11(10)19;12-6-3-7(13)11(8(14)4-6)21-10(16)5-9(15)20-1-2-22(17,18)19;9-5-3-6(10)8(7(11)4-5)15-1-2-16(12,13)14;9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;9-7-2-1-3-8(6-7)13-4-5-14(10,11)12;9-7-3-1-2-4-8(7)13-5-6-14(10,11)12/h2-10H,1H3,(H,47,48,49);2-3,11-12,16H,1,4-10H2,(H,31,32,33);1-2,7-8,12-13,15H,3-6,9-10H2,(H,25,26,27);1,3-4,9,13H,2,5-8,10H2,(H,23,24,25);1-2,4-5,12H,3,6-9H2,(H,22,23,24);3-4H,1-2,5H2,(H,17,18,19);3-4H,1-2H2,(H,12,13,14);1-4H,5-6H2,(H,10,11,12);1-3,6H,4-5H2,(H,10,11,12);1-4H,5-6H2,(H,10,11,12)/p-10
InChIKeyGPRVAKJVXVFTPL-UHFFFAOYSA-D
MW6488.85 g/mol
LogP31.82
Rot. Bonds65

About 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate

1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate (PubChem CID 158328400) has the molecular formula C145H122F14I24O62S10-10 and a molecular weight of 6488.85 g/mol. Its IUPAC name is 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate.

Molecular Properties

Compound Name1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate
PubChem CID158328400
Molecular FormulaC145H122F14I24O62S10-10
Molecular Weight6488.85 g/mol
Exact Mass6486.05
IUPAC Name1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate
SMILESCC(OC(=O)c1cc(C(=O)Oc2c(I)cc(I)cc2I)c(C(=O)Oc2c(I)cc(I)cc2I)cc1C(=O)Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(CC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCCc1cccc(I)c1.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCc1ccccc1I.O=C(OCc1cc(I)cc(I)c1I)C12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=C(OCc1ccc(I)cc1)C1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1.O=S(=O)([O-])CCOc1c(I)cc(I)cc1I.O=S(=O)([O-])CCOc1ccc(I)cc1.O=S(=O)([O-])CCOc1cccc(I)c1.O=S(=O)([O-])CCOc1ccccc1I
InChIInChI=1S/C31H13F2I9O11S.C22H22F3I3O7S.C18H20F3IO7S.C16H18F3IO7S.C15H16F3IO7S.C11H9I3O7S.C8H7I3O4S.3C8H9IO4S/c1-10(31(32,33)54(47,48)49)50-27(43)14-8-16(29(45)52-25-20(39)4-12(35)5-21(25)40)17(30(46)53-26-22(41)6-13(36)7-23(26)42)9-15(14)28(44)51-24-18(37)2-11(34)3-19(24)38;23-22(24,25)16(9-36(31,32)33)35-19(30)21-6-11-1-12(7-21)5-20(4-11,10-21)18(29)34-8-13-2-14(26)3-15(27)17(13)28;19-18(20,21)15(10-30(25,26)27)29-17(24)13-5-3-12(4-6-13)16(23)28-9-11-1-7-14(22)8-2-11;17-16(18,19)13(10-28(23,24)25)27-15(22)6-2-5-14(21)26-8-7-11-3-1-4-12(20)9-11;16-15(17,18)12(9-27(22,23)24)26-14(21)7-3-6-13(20)25-8-10-4-1-2-5-11(10)19;12-6-3-7(13)11(8(14)4-6)21-10(16)5-9(15)20-1-2-22(17,18)19;9-5-3-6(10)8(7(11)4-5)15-1-2-16(12,13)14;9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;9-7-2-1-3-8(6-7)13-4-5-14(10,11)12;9-7-3-1-2-4-8(7)13-5-6-14(10,11)12/h2-10H,1H3,(H,47,48,49);2-3,11-12,16H,1,4-10H2,(H,31,32,33);1-2,7-8,12-13,15H,3-6,9-10H2,(H,25,26,27);1,3-4,9,13H,2,5-8,10H2,(H,23,24,25);1-2,4-5,12H,3,6-9H2,(H,22,23,24);3-4H,1-2,5H2,(H,17,18,19);3-4H,1-2H2,(H,12,13,14);1-4H,5-6H2,(H,10,11,12);1-3,6H,4-5H2,(H,10,11,12);1-4H,5-6H2,(H,10,11,12)/p-10
InChIKeyGPRVAKJVXVFTPL-UHFFFAOYSA-D
XLogP31.82
TPSA977.12 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds65
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006488.85
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate?
The IUPAC name of 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate (CID 158328400) is 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate.
What is the SMILES notation for 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate?
The canonical SMILES for 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate is CC(OC(=O)c1cc(C(=O)Oc2c(I)cc(I)cc2I)c(C(=O)Oc2c(I)cc(I)cc2I)cc1C(=O)Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(CC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCCc1cccc(I)c1.O=C(CCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)OCc1ccccc1I.O=C(OCc1cc(I)cc(I)c1I)C12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.O=C(OCc1ccc(I)cc1)C1CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC1.O=S(=O)([O-])CCOc1c(I)cc(I)cc1I.O=S(=O)([O-])CCOc1ccc(I)cc1.O=S(=O)([O-])CCOc1cccc(I)c1.O=S(=O)([O-])CCOc1ccccc1I.
What is the InChIKey of 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate?
The InChIKey is GPRVAKJVXVFTPL-UHFFFAOYSA-D. The full InChI is InChI=1S/C31H13F2I9O11S.C22H22F3I3O7S.C18H20F3IO7S.C16H18F3IO7S.C15H16F3IO7S.C11H9I3O7S.C8H7I3O4S.3C8H9IO4S/c1-10(31(32,33)54(47,48)49)50-27(43)14-8-16(29(45)52-25-20(39)4-12(35)5-21(25)40)17(30(46)53-26-22(41)6-13(36)7-23(26)42)9-15(14)28(44)51-24-18(37)2-11(34)3-19(24)38;23-22(24,25)16(9-36(31,32)33)35-19(30)21-6-11-1-12(7-21)5-20(4-11,10-21)18(29)34-8-13-2-14(26)3-15(27)17(13)28;19-18(20,21)15(10-30(25,26)27)29-17(24)13-5-3-12(4-6-13)16(23)28-9-11-1-7-14(22)8-2-11;17-16(18,19)13(10-28(23,24)25)27-15(22)6-2-5-14(21)26-8-7-11-3-1-4-12(20)9-11;16-15(17,18)12(9-27(22,23)24)26-14(21)7-3-6-13(20)25-8-10-4-1-2-5-11(10)19;12-6-3-7(13)11(8(14)4-6)21-10(16)5-9(15)20-1-2-22(17,18)19;9-5-3-6(10)8(7(11)4-5)15-1-2-16(12,13)14;9-7-1-3-8(4-2-7)13-5-6-14(10,11)12;9-7-2-1-3-8(6-7)13-4-5-14(10,11)12;9-7-3-1-2-4-8(7)13-5-6-14(10,11)12/h2-10H,1H3,(H,47,48,49);2-3,11-12,16H,1,4-10H2,(H,31,32,33);1-2,7-8,12-13,15H,3-6,9-10H2,(H,25,26,27);1,3-4,9,13H,2,5-8,10H2,(H,23,24,25);1-2,4-5,12H,3,6-9H2,(H,22,23,24);3-4H,1-2,5H2,(H,17,18,19);3-4H,1-2H2,(H,12,13,14);1-4H,5-6H2,(H,10,11,12);1-3,6H,4-5H2,(H,10,11,12);1-4H,5-6H2,(H,10,11,12)/p-10.
What are the key properties of 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate?
1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate has a molecular weight of 6488.85 g/mol, XLogP of 31.82, 65 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[2,4,5-tris[(2,4,6-triiodophenoxy)carbonyl]benzoyl]oxypropane-1-sulfonate;2-(2-iodophenoxy)ethanesulfonate;2-(3-iodophenoxy)ethanesulfonate;2-(4-iodophenoxy)ethanesulfonate;2-[3-oxo-3-(2,4,6-triiodophenoxy)propanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[5-[2-(3-iodophenyl)ethoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-[(4-iodophenyl)methoxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-[(2-iodophenyl)methoxy]-5-oxopentanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-[(2,3,5-triiodophenyl)methoxycarbonyl]adamantane-1-carbonyl]oxypropane-1-sulfonate;2-(2,4,6-triiodophenoxy)ethanesulfonate is sourced from PubChem (CID 158328400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).