sodium (3E)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate

Systemtic Name: sodium (3E)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate Openeye Name: sodium (3E)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate CAS Name: sodium (3E)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate IUPAC Name: sodium (3E)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate Traditional Name: sodium (3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-8-sulfo-4H-benzo[f]quinoline-1-carboxylate Formula: C20H12NNaO6S MolecularWeight: 417.36715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C(N2)C=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)[O-])C(=O)C=C1.[Na+]

Isomeric SMILES

C1=C/C(=C\2/C=C(C3=C(N2)C=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)[O-])/C(=O)C=C1.[Na+]

InChI

InChI=1S/C20H13NO6S.Na/c22-18-4-2-1-3-14(18)17-10-15(20(23)24)19-13-7-6-12(28(25,26)27)9-11(13)5-8-16(19)21-17;/h1-10,21H,(H,23,24)(H,25,26,27);/q;+1/p-1/b17-14+;