8-(4-phenylquinolin-2-yl)sulfanyloctanoic acid

Systemtic Name: 8-(4-phenylquinolin-2-yl)sulfanyloctanoic acid Openeye Name: 8-[(4-phenyl-2-quinolyl)sulfanyl]octanoic acid CAS Name: 8-[(4-phenyl-2-quinolinyl)thio]octanoic acid IUPAC Name: 8-(4-phenylquinolin-2-yl)sulfanyloctanoic acid Traditional Name: 8-[(4-phenyl-2-quinolyl)thio]caprylic acid Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C32)SCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C32)SCCCCCCCC(=O)O

InChI

InChI=1S/C23H25NO2S/c25-23(26)15-7-2-1-3-10-16-27-22-17-20(18-11-5-4-6-12-18)19-13-8-9-14-21(19)24-22/h4-6,8-9,11-14,17H,1-3,7,10,15-16H2,(H,25,26)