2-methoxy-4-oxidanyl-5-(2-oxidanyl-5-sulfo-phenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-methoxy-4-oxidanyl-5-(2-oxidanyl-5-sulfo-phenyl)carbonyl-benzenesulfonic acid Openeye Name: 4-hydroxy-5-(2-hydroxy-5-sulfo-benzoyl)-2-methoxy-benzenesulfonic acid CAS Name: 4-hydroxy-5-[(2-hydroxy-5-sulfophenyl)-oxomethyl]-2-methoxybenzenesulfonic acid IUPAC Name: 4-hydroxy-5-(2-hydroxy-5-sulfobenzoyl)-2-methoxybenzenesulfonic acid Traditional Name: 4-hydroxy-5-(2-hydroxy-5-sulfo-benzoyl)-2-methoxy-besylic acid Formula: C14H12O10S2 MolecularWeight: 404.36908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12O10S2/c1-24-12-6-11(16)9(5-13(12)26(21,22)23)14(17)8-4-7(25(18,19)20)2-3-10(8)15/h2-6,15-16H,1H3,(H,18,19,20)(H,21,22,23)