2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)thio]cinchoninic acid Formula: C22H13Cl2NO2S MolecularWeight: 426.31512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)Cl)SC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)Cl)SC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H13Cl2NO2S/c23-14-7-5-13(6-8-14)20-21(28-16-11-9-15(24)10-12-16)19(22(26)27)17-3-1-2-4-18(17)25-20/h1-12H,(H,26,27)