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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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