2-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(2-carboxy-3,4,5,6-tetrachlorophenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(2-carboxy-3,4,5,6-tetrachlorophenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(2-carboxy-3,4,5,6-tetrachloro-phenyl)-6-methyl-cinchoninic acid Formula: C18H9Cl4NO4 MolecularWeight: 445.08036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H9Cl4NO4/c1-6-2-3-9-7(4-6)8(17(24)25)5-10(23-9)11-12(18(26)27)14(20)16(22)15(21)13(11)19/h2-5H,1H3,(H,24,25)(H,26,27)