sodium 2-[(Z)-[3,4-bis(oxidanyl)phenyl]-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-[3,4-bis(oxidanyl)phenyl]-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C19H13NaO7S MolecularWeight: 408.35709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)O)C3=CC(=C(C=C3)O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C\2/C=CC(=O)C(=C2)O)/C3=CC(=C(C=C3)O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H14O7S.Na/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26;/h1-10,20,22-23H,(H,24,25,26);/q;+1/p-1/b19-12-;