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

Systemtic Name: 2-[(E)-(2-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-methyl-4-oxidanyl-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-[(E)-(4-hydroxy-2-methyl-phenyl)-(2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-[(E)-(4-hydroxy-2-methylphenyl)-(2-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-(4-hydroxy-2-methylphenyl)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-[(E)-(4-hydroxy-2-methyl-phenyl)-(4-keto-2-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(=O)C=CC1=C(C2=C(C=C(C=C2)O)C)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC\1=CC(=O)C=C/C1=C(/C2=C(C=C(C=C2)O)C)\C3=CC=CC=C3S(=O)(=O)O

InChI

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