(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7-sulfo-1H-quinoline-4-carboxylic acid

Systemtic Name: (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-7-sulfo-1H-quinoline-4-carboxylic acid Openeye Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-7-sulfo-1H-quinoline-4-carboxylic acid CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-7-sulfo-1H-quinoline-4-carboxylic acid IUPAC Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-7-sulfo-1H-quinoline-4-carboxylic acid Traditional Name: (2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-7-sulfo-1H-quinoline-4-carboxylic acid Formula: C16H11NO6S MolecularWeight: 345.32664

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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

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

InChI

InChI=1S/C16H11NO6S/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)/b14-11+