2-(4-heptylphenyl)-6-iodanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-heptylphenyl)-6-iodanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-heptylphenyl)-6-iodo-quinoline-4-carboxylic acid CAS Name: 2-(4-heptylphenyl)-6-iodo-4-quinolinecarboxylic acid IUPAC Name: 2-(4-heptylphenyl)-6-iodoquinoline-4-carboxylic acid Traditional Name: 2-(4-heptylphenyl)-6-iodo-cinchoninic acid Formula: C23H24INO2 MolecularWeight: 473.34663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=C2)C(=O)O

InChI

InChI=1S/C23H24INO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)22-15-20(23(26)27)19-14-18(24)12-13-21(19)25-22/h8-15H,2-7H2,1H3,(H,26,27)