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

Systemtic Name: [(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate Openeye Name: [(E)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(E)-(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(E)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(E)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

Isomeric SMILES

CC\1=CC(=O)C(=C/C1=N\OS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C17H19NO5S/c1-11(2)15-10-16(12(3)9-17(15)19)18-23-24(20,21)14-7-5-13(22-4)6-8-14/h5-11H,1-4H3/b18-16+