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

C144H124F4I24O58S8-8 — CID 159314195

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

1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate (PubChem CID 159314195) has the molecular formula C144H124F4I24O58S8-8 and a molecular weight of 6160.74 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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate.

Molecular Properties

• Compound Name: 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate
• PubChem CID: 159314195
• Molecular Formula: C144H124F4I24O58S8-8
• Molecular Weight: 6160.74 g/mol
• Exact Mass: 6158.16
• IUPAC Name: 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate
• SMILES: O=C(CC1C2CCC(C2)C1COC(=O)c1cc(I)cc(I)c1I)OCCS(=O)(=O)[O-].O=C(CC1CCCCC1COC(=O)c1cc(I)cc(I)c1I)OCCS(=O)(=O)[O-].O=C(OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC1C2CC3C1OC(=O)C3C2C(=O)OCC(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2C(=O)OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(C(=O)OCCS(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(OCCS(=O)(=O)[O-])c1ccc(OC(=O)c2cc(I)cc(I)c2I)cc1.O=C(Oc1ccc(C(=O)OCCS(=O)(=O)[O-])c2ccccc12)c1cc(I)cc(I)c1I
• InChI: InChI=1S/C20H19F2I3O7S.C20H13I3O7S.C19H21I3O7S.C18H13F2I3O9S.C18H21I3O7S.C17H17I3O7S.C16H17I3O7S.C16H11I3O7S/c21-20(22,33(28,29)30)9-31-17(27)18-4-10-1-11(5-18)7-19(6-10,8-18)32-16(26)13-2-12(23)3-14(24)15(13)25;21-11-9-15(18(23)16(22)10-11)20(25)30-17-6-5-14(12-3-1-2-4-13(12)17)19(24)29-7-8-31(26,27)28;20-12-6-14(18(22)16(21)7-12)19(24)29-9-15-11-2-1-10(5-11)13(15)8-17(23)28-3-4-30(25,26)27;19-18(20,33(27,28)29)4-30-16(25)10-6-3-7-11(10)17(26)32-14(7)13(6)31-15(24)8-1-5(21)2-9(22)12(8)23;19-13-8-14(17(21)15(20)9-13)18(23)28-10-12-4-2-1-3-11(12)7-16(22)27-5-6-29(24,25)26;18-10-6-12(15(20)13(19)7-10)17(22)27-14-5-8-3-9(14)4-11(8)16(21)26-1-2-28(23,24)25;2*17-10-7-12(14(19)13(18)8-10)16(21)26-11-3-1-9(2-4-11)15(20)25-5-6-27(22,23)24/h2-3,10-11H,1,4-9H2,(H,28,29,30);1-6,9-10H,7-8H2,(H,26,27,28);6-7,10-11,13,15H,1-5,8-9H2,(H,25,26,27);1-2,6-7,10-11,13-14H,3-4H2,(H,27,28,29);8-9,11-12H,1-7,10H2,(H,24,25,26);6-9,11,14H,1-5H2,(H,23,24,25);7-9,11H,1-6H2,(H,22,23,24);1-4,7-8H,5-6H2,(H,22,23,24)/p-8
• InChIKey: LCXWICOOXYKKCW-UHFFFAOYSA-F
• XLogP: 29.39
• TPSA: 904.70 Ų
• H-Bond Acceptors: 58
• Rotatable Bonds: 52
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6160.74
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	58

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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate?

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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate (CID 159314195) is 1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate.

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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate?

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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate is O=C(CC1C2CCC(C2)C1COC(=O)c1cc(I)cc(I)c1I)OCCS(=O)(=O)[O-].O=C(CC1CCCCC1COC(=O)c1cc(I)cc(I)c1I)OCCS(=O)(=O)[O-].O=C(OC12CC3CC(C1)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2)c1cc(I)cc(I)c1I.O=C(OC1C2CC3C1OC(=O)C3C2C(=O)OCC(F)(F)S(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CC2CC1CC2C(=O)OCCS(=O)(=O)[O-])c1cc(I)cc(I)c1I.O=C(OC1CCC(C(=O)OCCS(=O)(=O)[O-])CC1)c1cc(I)cc(I)c1I.O=C(OCCS(=O)(=O)[O-])c1ccc(OC(=O)c2cc(I)cc(I)c2I)cc1.O=C(Oc1ccc(C(=O)OCCS(=O)(=O)[O-])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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate?

The InChIKey is LCXWICOOXYKKCW-UHFFFAOYSA-F. The full InChI is InChI=1S/C20H19F2I3O7S.C20H13I3O7S.C19H21I3O7S.C18H13F2I3O9S.C18H21I3O7S.C17H17I3O7S.C16H17I3O7S.C16H11I3O7S/c21-20(22,33(28,29)30)9-31-17(27)18-4-10-1-11(5-18)7-19(6-10,8-18)32-16(26)13-2-12(23)3-14(24)15(13)25;21-11-9-15(18(23)16(22)10-11)20(25)30-17-6-5-14(12-3-1-2-4-13(12)17)19(24)29-7-8-31(26,27)28;20-12-6-14(18(22)16(21)7-12)19(24)29-9-15-11-2-1-10(5-11)13(15)8-17(23)28-3-4-30(25,26)27;19-18(20,33(27,28)29)4-30-16(25)10-6-3-7-11(10)17(26)32-14(7)13(6)31-15(24)8-1-5(21)2-9(22)12(8)23;19-13-8-14(17(21)15(20)9-13)18(23)28-10-12-4-2-1-3-11(12)7-16(22)27-5-6-29(24,25)26;18-10-6-12(15(20)13(19)7-10)17(22)27-14-5-8-3-9(14)4-11(8)16(21)26-1-2-28(23,24)25;2*17-10-7-12(14(19)13(18)8-10)16(21)26-11-3-1-9(2-4-11)15(20)25-5-6-27(22,23)24/h2-3,10-11H,1,4-9H2,(H,28,29,30);1-6,9-10H,7-8H2,(H,26,27,28);6-7,10-11,13,15H,1-5,8-9H2,(H,25,26,27);1-2,6-7,10-11,13-14H,3-4H2,(H,27,28,29);8-9,11-12H,1-7,10H2,(H,24,25,26);6-9,11,14H,1-5H2,(H,23,24,25);7-9,11H,1-6H2,(H,22,23,24);1-4,7-8H,5-6H2,(H,22,23,24)/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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate?

1,1-difluoro-2-[5-oxo-2-(2,3,5-triiodobenzoyl)oxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate has a molecular weight of 6160.74 g/mol, XLogP of 29.39, 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]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-triiodobenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[2-[3-[(2,3,5-triiodobenzoyl)oxymethyl]-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethanesulfonate;2-[2-[2-[(2,3,5-triiodobenzoyl)oxymethyl]cyclohexyl]acetyl]oxyethanesulfonate;2-[4-(2,3,5-triiodobenzoyl)oxynaphthalene-1-carbonyl]oxyethanesulfonate is sourced from PubChem (CID 159314195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).