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

Systemtic Name: 5,8-bis(chloranyl)-2-(4-heptylphenyl)quinoline-4-carboxylic acid Openeye Name: 5,8-dichloro-2-(4-heptylphenyl)quinoline-4-carboxylic acid CAS Name: 5,8-dichloro-2-(4-heptylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 5,8-dichloro-2-(4-heptylphenyl)quinoline-4-carboxylic acid Traditional Name: 5,8-dichloro-2-(4-heptylphenyl)cinchoninic acid Formula: C23H23Cl2NO2 MolecularWeight: 416.34022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C23H23Cl2NO2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)20-14-17(23(27)28)21-18(24)12-13-19(25)22(21)26-20/h8-14H,2-7H2,1H3,(H,27,28)