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

Systemtic Name: 2-[(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2,5-dimethyl-4-oxidanyl-phenyl)methyl]benzenesulfonate Openeye Name: 2-[(2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-2,5-dimethyl-phenyl)methyl]benzenesulfonate CAS Name: 2-[(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-(4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonate IUPAC Name: 2-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonate Traditional Name: 2-[(4-hydroxy-2,5-dimethyl-phenyl)-(4-keto-2,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C23H21O5S- MolecularWeight: 409.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=C2C=C(C(=O)C=C2C)C)C3=CC=CC=C3S(=O)(=O)[O-])C)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=C2C=C(C(=O)C=C2C)C)C3=CC=CC=C3S(=O)(=O)[O-])C)O

InChI

InChI=1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28/h5-12,24H,1-4H3,(H,26,27,28)/p-1