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

Systemtic Name: [(Z)-(3-bromanyl-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Openeye Name: [(Z)-(3-bromo-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(Z)-(3-bromo-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(Z)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(Z)-(3-bromo-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C13H9BrN2O6S MolecularWeight: 401.18936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=C(C1=O)Br

Isomeric SMILES

CC1=C/C(=N/OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=C(C1=O)Br

InChI

InChI=1S/C13H9BrN2O6S/c1-8-6-9(7-12(14)13(8)17)15-22-23(20,21)11-4-2-10(3-5-11)16(18)19/h2-7H,1H3/b15-9-