sodium (3Z)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4H-benzo[f]quinoline-9-sulfonate

Systemtic Name: sodium (3Z)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4H-benzo[f]quinoline-9-sulfonate Openeye Name: sodium (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4H-benzo[f]quinoline-9-sulfonate CAS Name: sodium (3Z)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-4H-benzo[f]quinoline-9-sulfonate IUPAC Name: sodium (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4H-benzo[f]quinoline-9-sulfonate Traditional Name: sodium (3Z)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-4H-benzo[f]quinoline-9-sulfonate Formula: C19H12NNaO4S MolecularWeight: 373.35765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC3=C(N2)C=CC4=C3C=C(C=C4)S(=O)(=O)[O-])C(=O)C=C1.[Na+]

Isomeric SMILES

C1=C/C(=C/2\C=CC3=C(N2)C=CC4=C3C=C(C=C4)S(=O)(=O)[O-])/C(=O)C=C1.[Na+]

InChI

InChI=1S/C19H13NO4S.Na/c21-19-4-2-1-3-15(19)18-10-8-14-16-11-13(25(22,23)24)7-5-12(16)6-9-17(14)20-18;/h1-11,20H,(H,22,23,24);/q;+1/p-1/b18-15-;