[(Z)-(5-methyl-4-oxidanylidene-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-(5-methyl-4-oxidanylidene-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-(2-isopropyl-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(5-methyl-4-oxo-2-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(Z)-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(2-isopropyl-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C\2/C=C(C(=O)C=C2C(C)C)C

InChI

InChI=1S/C17H19NO4S/c1-11(2)15-10-17(19)13(4)9-16(15)18-22-23(20,21)14-7-5-12(3)6-8-14/h5-11H,1-4H3/b18-16-