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

Systemtic Name: sodium 2-[(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonate Openeye Name: sodium 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: sodium 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: sodium 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: sodium 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C21H17NaO5S MolecularWeight: 404.41145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O.[Na+]

Isomeric SMILES

CC1=C/C(=C(\C2=CC(=C(C=C2)O)C)/C3=CC=CC=C3S(=O)(=O)[O-])/C=CC1=O.[Na+]

InChI

InChI=1S/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-16+;