2-(4-pentan-3-yloxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(4-pentan-3-yloxyphenyl)sulfanyloctanoic acid Openeye Name: 2-[4-(1-ethylpropoxy)phenyl]sulfanyloctanoic acid CAS Name: 2-[(4-pentan-3-yloxyphenyl)thio]octanoic acid IUPAC Name: 2-(4-pentan-3-yloxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[[4-(1-ethylpropoxy)phenyl]thio]caprylic acid Formula: C19H30O3S MolecularWeight: 338.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC(CC)CC

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC(CC)CC

InChI

InChI=1S/C19H30O3S/c1-4-7-8-9-10-18(19(20)21)23-17-13-11-16(12-14-17)22-15(5-2)6-3/h11-15,18H,4-10H2,1-3H3,(H,20,21)