5,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 5,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 5,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 5,8-dichloro-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 5,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 5,8-dichloro-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C17H11Cl2NO2S MolecularWeight: 364.24574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C17H11Cl2NO2S/c1-23-10-4-2-9(3-5-10)14-8-11(17(21)22)15-12(18)6-7-13(19)16(15)20-14/h2-8H,1H3,(H,21,22)