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

Systemtic Name: [[4-oxidanylidene-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 4-propan-2-ylbenzenesulfonate Openeye Name: [(3,5-diisopropyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic 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] 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-13(2)16-7-9-18(10-8-16)27(24,25)26-22-17-11-19(14(3)4)21(23)20(12-17)15(5)6/h7-15H,1-6H3