sodium 4-carboxy-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-6-sulfonate

Systemtic Name: sodium 4-carboxy-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-6-sulfonate Openeye Name: sodium 4-carboxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-6-sulfonate CAS Name: sodium 4-carboxy-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-6-sulfonate IUPAC Name: sodium 4-carboxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-6-sulfonate Traditional Name: sodium 4-carboxy-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-6-sulfonate Formula: C16H10NNaO6S MolecularWeight: 367.30847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)S(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)S(=O)(=O)[O-])C(=O)O.[Na+]

InChI

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