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

Systemtic Name: 2-[(E)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(E)-(4-hydroxy-3-methyl-phenyl)-(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid Formula: C21H18O5S MolecularWeight: 382.42962

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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

Isomeric SMILES

CC1=C/C(=C(\C2=CC(=C(C=C2)O)C)/C3=CC=CC=C3S(=O)(=O)O)/C=CC1=O

InChI

InChI=1S/C21H18O5S/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)/b21-16+