3-sulfanyl-2H-quinoline-2,3-dicarboxylic acid

Systemtic Name: 3-sulfanyl-2H-quinoline-2,3-dicarboxylic acid Openeye Name: 3-sulfanyl-2H-quinoline-2,3-dicarboxylic acid CAS Name: 3-mercapto-2H-quinoline-2,3-dicarboxylic acid IUPAC Name: 3-sulfanyl-2H-quinoline-2,3-dicarboxylic acid Traditional Name: 3-mercapto-2H-quinoline-2,3-dicarboxylic acid Formula: C11H9NO4S MolecularWeight: 251.25846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(C(N=C2C=C1)C(=O)O)(C(=O)O)S

Isomeric SMILES

C1=CC2=CC(C(N=C2C=C1)C(=O)O)(C(=O)O)S

InChI

InChI=1S/C11H9NO4S/c13-9(14)8-11(17,10(15)16)5-6-3-1-2-4-7(6)12-8/h1-5,8,17H,(H,13,14)(H,15,16)