6,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6,8-dichloro-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6,8-dichloro-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C17H11Cl2NO2S MolecularWeight: 364.24574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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