2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-(2-sulfooxyethylhydrazono)methyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-(2-sulfoxyethylhydrazono)methyl]cinchoninic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=NNCCOS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=N/NCCOS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O6S/c17-13(18)11-7-9(16-12-4-2-1-3-10(11)12)8-15-14-5-6-22-23(19,20)21/h1-4,7-8,14H,5-6H2,(H,17,18)(H,19,20,21)/b15-8+