2-[2,6-bis(chloranyl)phenyl]sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(2,6-dichlorophenyl)sulfanylquinoline-4-carboxylic acid CAS Name: 2-[(2,6-dichlorophenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(2,6-dichlorophenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-[(2,6-dichlorophenyl)thio]cinchoninic acid Formula: C16H9Cl2NO2S MolecularWeight: 350.21916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C16H9Cl2NO2S/c17-11-5-3-6-12(18)15(11)22-14-8-10(16(20)21)9-4-1-2-7-13(9)19-14/h1-8H,(H,20,21)