6,8-bis(bromanyl)-2-(4-heptylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-bis(bromanyl)-2-(4-heptylphenyl)quinoline-4-carboxylic acid Openeye Name: 6,8-dibromo-2-(4-heptylphenyl)quinoline-4-carboxylic acid CAS Name: 6,8-dibromo-2-(4-heptylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6,8-dibromo-2-(4-heptylphenyl)quinoline-4-carboxylic acid Traditional Name: 6,8-dibromo-2-(4-heptylphenyl)cinchoninic acid Formula: C23H23Br2NO2 MolecularWeight: 505.24222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Br2NO2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)21-14-19(23(27)28)18-12-17(24)13-20(25)22(18)26-21/h8-14H,2-7H2,1H3,(H,27,28)