[(E)-(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [(E)-(2,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 2,4,6-trimethylbenzenesulfonate Openeye Name: [(E)-(2,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [(E)-(2,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(E)-(4-keto-2,5-dimethyl-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)C)S(=O)(=O)ON=C2C=C(C(=O)C=C2C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-10-6-13(4)17(14(5)7-10)23(20,21)22-18-15-8-12(3)16(19)9-11(15)2/h6-9H,1-5H3/b18-15+