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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-20(2,3)17-12-14(13-18(19(17)23)21(4,5)6)22-27-28(24,25)16-10-8-15(26-7)9-11-16/h8-13H,1-7H3