2-(4-propylphenyl)sulfanylnonanoic acid

Systemtic Name: 2-(4-propylphenyl)sulfanylnonanoic acid Openeye Name: 2-(4-propylphenyl)sulfanylnonanoic acid CAS Name: 2-[(4-propylphenyl)thio]nonanoic acid IUPAC Name: 2-(4-propylphenyl)sulfanylnonanoic acid Traditional Name: 2-[(4-propylphenyl)thio]pelargonic acid Formula: C18H28O2S MolecularWeight: 308.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)O)SC1=CC=C(C=C1)CCC

Isomeric SMILES

CCCCCCCC(C(=O)O)SC1=CC=C(C=C1)CCC

InChI

InChI=1S/C18H28O2S/c1-3-5-6-7-8-10-17(18(19)20)21-16-13-11-15(9-4-2)12-14-16/h11-14,17H,3-10H2,1-2H3,(H,19,20)