1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid

C55H48F11I11O25S4 — CID 158635372

IUPAC1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid
SMILESCC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)O.CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)OC(CS(=O)(=O)O)C(F)(F)F.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1c(I)cc(I)c(O)c1I.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1cc(I)cc(I)c1O
InChIInChI=1S/C21H21F2I3O7S.C14H14F3I3O6S.C10H6F3I3O6S.C10H7F3I2O6S/c1-10(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;1-2-6(3-7-8(18)4-9(19)12(21)11(7)20)13(22)26-10(14(15,16)17)5-27(23,24)25;11-10(12,13)5(2-23(19,20)21)22-9(18)6-3(14)1-4(15)8(17)7(6)16;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16/h3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4,6,10,21H,2-3,5H2,1H3,(H,23,24,25);1,5,17H,2H2,(H,19,20,21);1-2,7,16H,3H2,(H,18,19,20)
InChIKeyHZSAMWIMLHUWLS-UHFFFAOYSA-N
MW2842.15 g/mol
LogP15.30
Rot. Bonds21

About 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid

1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid (PubChem CID 158635372) has the molecular formula C55H48F11I11O25S4 and a molecular weight of 2842.15 g/mol. Its IUPAC name is 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid
PubChem CID158635372
Molecular FormulaC55H48F11I11O25S4
Molecular Weight2842.15 g/mol
Exact Mass2841.07
IUPAC Name1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid
SMILESCC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)O.CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)OC(CS(=O)(=O)O)C(F)(F)F.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1c(I)cc(I)c(O)c1I.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1cc(I)cc(I)c1O
InChIInChI=1S/C21H21F2I3O7S.C14H14F3I3O6S.C10H6F3I3O6S.C10H7F3I2O6S/c1-10(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;1-2-6(3-7-8(18)4-9(19)12(21)11(7)20)13(22)26-10(14(15,16)17)5-27(23,24)25;11-10(12,13)5(2-23(19,20)21)22-9(18)6-3(14)1-4(15)8(17)7(6)16;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16/h3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4,6,10,21H,2-3,5H2,1H3,(H,23,24,25);1,5,17H,2H2,(H,19,20,21);1-2,7,16H,3H2,(H,18,19,20)
InChIKeyHZSAMWIMLHUWLS-UHFFFAOYSA-N
XLogP15.30
TPSA409.67 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.15
LogP ≤ 515.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid with MolForge

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Related Compounds

CID 157289283
CID 157289283
CID 157424208
CID 157424208
3-(1-Adamantylmethoxycarbonyl)-5-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]carbonylbenzenesulfonate;3,5-bis[(4,4-difluoro-3-hydroxypentoxy)carbonyl]benzenesulfonate;3,5-bis[(3-fluoro-3-hydroxypropoxy)carbonyl]benzenesulfonate;3-[(3-hydroxy-1-adamantyl)methoxycarbonyl]-5-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]carbonylbenzenesulfonate;4-hydroxy-3-[(3-hydroxy-1-adamantyl)methoxycarbonyl]-5-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]carbonylbenzenesulfonate;3-[[3-(3-hydroxy-3-methylbutoxy)carbonyl-1-adamantyl]methoxycarbonyl]-5-[[3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]carbonyl-1-adamantyl]methoxycarbonyl]benzenesulfonate;3-[2-(2-methoxyethoxy)ethoxycarbonyl]-5-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxycarbonylbenzenesulfonate
CID 157669708
Calcium;dimagnesium;bis(1,1-difluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate);bis(1,1-difluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonate);bis(3,3,3-trifluoro-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate)
CID 157694790
2-[3,5-Bis[(2,3,5-triiodobenzoyl)oxy]cyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-bis[(2,3,5-triiodobenzoyl)oxy]-7-(2,3,6-triiodobenzoyl)oxyadamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxy-5-(2,3,6-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2,4,6-tris[(2,3,5-triiodobenzoyl)oxy]cyclohexanecarbonyl]oxypropane-1-sulfonate
CID 157862845
2,2-Difluoro-3-(3-hydroxy-4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(3-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(2,3,4,5,6-pentaiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5,6-tetraiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-(2,4,6-triiodobenzoyl)oxypentanoate;3-(2,4-diiodobenzoyl)oxy-2,2-difluoro-4-methylpentanoate;3-(3,5-diiodo-2-methoxybenzoyl)oxy-2,2-difluoropropanoate
CID 158017620
4-Butan-2-ylphenol;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(3,3,4,5,5-pentamethylcyclohexyl) 2,2-dimethylbutanoate;5-phenyldibenzothiophen-5-ium
CID 158020028
2-[3,5-Bis[(2,3,5-triiodobenzoyl)oxy]cyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-hydroxy-4-iodobenzoyl)oxyethanesulfonate;2-(2-hydroxy-5-iodobenzoyl)oxyethanesulfonate;2-(2-iodobenzoyl)oxyethanesulfonate;2-(3-iodobenzoyl)oxyethanesulfonate;2-(4-iodobenzoyl)oxyethanesulfonate;2-(4-iodo-3-methylbenzoyl)oxyethanesulfonate
CID 158351698
2-(2-Acetyloxy-4-iodobenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-benzoyloxy-4-iodobenzoyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-(cyclopentanecarbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-2-(2-methylpropanoyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
CID 158774473
3,3,3-Trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[6-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(2,4,5-triiodophenoxy)propane-1-sulfonate
CID 158803777
2-(4-Fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethanesulfonate;2-(3-hydroxy-2,4,6-triiodobenzoyl)oxyethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(3-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-iodobenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate
CID 158836039
4-Carboxy-2,6-diiodophenolate;4-[3,5-diiodo-4-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]benzoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonic acid;1-(2-hydroxy-3,5-diiodophenyl)ethanone;1,1,2,2-tetrafluoro-4-[2-[(3-hydroxy-1-adamantyl)methoxycarbonyl]-3,4,5,6-tetraiodobenzoyl]oxybutane-1-sulfonic acid;1,1,2,2-tetrafluoro-4-(2-hydroxy-3,5-diiodobenzoyl)oxybutane-1-sulfonic acid;1,1,2,2-tetrafluoro-4-(4-hydroxy-3,5-diiodobenzoyl)oxybutane-1-sulfonic acid;1,1,2,2-tetrafluoro-4-(3-hydroxy-2,4,6-triiodobenzoyl)oxybutane-1-sulfonic acid;1,1,2,2-tetrafluoro-4-(2,3,5-triiodobenzoyl)oxybutane-1-sulfonic acid;2,3,5-triiodobenzoate
CID 159124509

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid?
The IUPAC name of 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid (CID 158635372) is 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid.
What is the SMILES notation for 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid?
The canonical SMILES for 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid is CC(OC(=O)C12CC3CC(CC(OC(=O)c4cc(I)cc(I)c4I)(C3)C1)C2)C(F)(F)S(=O)(=O)O.CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)OC(CS(=O)(=O)O)C(F)(F)F.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1c(I)cc(I)c(O)c1I.O=C(OC(CS(=O)(=O)O)C(F)(F)F)c1cc(I)cc(I)c1O.
What is the InChIKey of 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid?
The InChIKey is HZSAMWIMLHUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2I3O7S.C14H14F3I3O6S.C10H6F3I3O6S.C10H7F3I2O6S/c1-10(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;1-2-6(3-7-8(18)4-9(19)12(21)11(7)20)13(22)26-10(14(15,16)17)5-27(23,24)25;11-10(12,13)5(2-23(19,20)21)22-9(18)6-3(14)1-4(15)8(17)7(6)16;11-10(12,13)7(3-22(18,19)20)21-9(17)5-1-4(14)2-6(15)8(5)16/h3-4,10-12H,2,5-9H2,1H3,(H,29,30,31);4,6,10,21H,2-3,5H2,1H3,(H,23,24,25);1,5,17H,2H2,(H,19,20,21);1-2,7,16H,3H2,(H,18,19,20).
What are the key properties of 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid?
1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid has a molecular weight of 2842.15 g/mol, XLogP of 15.30, 21 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxypropane-1-sulfonic acid;3,3,3-trifluoro-2-[2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoyloxy]propane-1-sulfonic acid is sourced from PubChem (CID 158635372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).