sodium (2E)-4-carboxy-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinoline-7-sulfonate

Systemtic Name: sodium (2E)-4-carboxy-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinoline-7-sulfonate Openeye Name: sodium (2E)-4-carboxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinoline-7-sulfonate CAS Name: sodium (2E)-4-carboxy-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinoline-7-sulfonate IUPAC Name: sodium (2E)-4-carboxy-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinoline-7-sulfonate Traditional Name: sodium (2E)-4-carboxy-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-quinoline-7-sulfonate Formula: C16H10NNaO6S MolecularWeight: 367.30847

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H11NO6S.Na/c18-15-4-2-1-3-11(15)14-8-12(16(19)20)10-6-5-9(24(21,22)23)7-13(10)17-14;/h1-8,17H,(H,19,20)(H,21,22,23);/q;+1/p-1/b14-11+;