[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate

Systemtic Name: [(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Openeye Name: [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(4-ketocyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C12H8N2O6S MolecularWeight: 308.26672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O6S/c15-11-5-1-9(2-6-11)13-20-21(18,19)12-7-3-10(4-8-12)14(16)17/h1-8H