[(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate

Systemtic Name: [(E)-(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate Openeye Name: [(E)-(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic 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] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(E)-(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC\1=CC(=O)C(=C/C1=N\OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H16N2O6S/c1-10(2)14-9-15(11(3)7-16(14)19)17-24-25(22,23)13-6-4-5-12(8-13)18(20)21/h4-10H,1-3H3/b17-15+