4-(5-carboxy-2-sulfo-cyclohexyl)carbonylbenzoic acid; potassium

Systemtic Name: 4-(5-carboxy-2-sulfo-cyclohexyl)carbonylbenzoic acid; potassium Openeye Name: 4-(5-carboxy-2-sulfo-cyclohexanecarbonyl)benzoic acid; potassium CAS Name: 4-[(5-carboxy-2-sulfocyclohexyl)-oxomethyl]benzoic acid; potassium IUPAC Name: 4-(5-carboxy-2-sulfocyclohexanecarbonyl)benzoic acid; potassium Traditional Name: 4-(5-carboxy-2-sulfo-cyclohexanecarbonyl)benzoic acid; potassium Formula: C15H16KO8S MolecularWeight: 395.44604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O)S(=O)(=O)O.[K]

Isomeric SMILES

C1CC(C(CC1C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O)S(=O)(=O)O.[K]

InChI

InChI=1S/C15H16O8S.K/c16-13(8-1-3-9(4-2-8)14(17)18)11-7-10(15(19)20)5-6-12(11)24(21,22)23;/h1-4,10-12H,5-7H2,(H,17,18)(H,19,20)(H,21,22,23);