[[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate Openeye Name: [(3,5-diisopropyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [[4-oxo-3,5-di(propan-2-yl)-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(3,5-diisopropyl-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)C)S(=O)(=O)ON=C2C=C(C(=O)C(=C2)C(C)C)C(C)C)C

Isomeric SMILES

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

InChI

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