8-hexylsulfanylquinoline-5-carboxylic acid

Systemtic Name: 8-hexylsulfanylquinoline-5-carboxylic acid Openeye Name: 8-hexylsulfanylquinoline-5-carboxylic acid CAS Name: 8-(hexylthio)-5-quinolinecarboxylic acid IUPAC Name: 8-hexylsulfanylquinoline-5-carboxylic acid Traditional Name: 8-(hexylthio)quinoline-5-carboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C2C(=C(C=C1)C(=O)O)C=CC=N2

Isomeric SMILES

CCCCCCSC1=C2C(=C(C=C1)C(=O)O)C=CC=N2

InChI

InChI=1S/C16H19NO2S/c1-2-3-4-5-11-20-14-9-8-13(16(18)19)12-7-6-10-17-15(12)14/h6-10H,2-5,11H2,1H3,(H,18,19)