[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-14-8-10-16(11-9-14)27(24,25)26-22-15-12-17(20(2,3)4)19(23)18(13-15)21(5,6)7/h8-13H,1-7H3