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

Systemtic Name: 6-chloranyl-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-quinoline-4-carboxylic acid CAS Name: 6-chloro-2-(4-chlorophenyl)-3-[(4-chlorophenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 6-chloro-2-(4-chlorophenyl)-3-[(4-chlorophenyl)thio]cinchoninic acid Formula: C22H12Cl3NO2S MolecularWeight: 460.76018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)Cl)C(=O)O)SC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)Cl)C(=O)O)SC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H12Cl3NO2S/c23-13-3-1-12(2-4-13)20-21(29-16-8-5-14(24)6-9-16)19(22(27)28)17-11-15(25)7-10-18(17)26-20/h1-11H,(H,27,28)