3-(8-methylnonylsulfanyl)octyl propanoate

Systemtic Name: 3-(8-methylnonylsulfanyl)octyl propanoate Openeye Name: 3-(8-methylnonylsulfanyl)octyl propanoate CAS Name: propanoic acid 3-(8-methylnonylthio)octyl ester IUPAC Name: 3-(8-methylnonylsulfanyl)octyl propanoate Traditional Name: propionic acid 3-(8-methylnonylthio)octyl ester Formula: C21H42O2S MolecularWeight: 358.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCOC(=O)CC)SCCCCCCCC(C)C

Isomeric SMILES

CCCCCC(CCOC(=O)CC)SCCCCCCCC(C)C

InChI

InChI=1S/C21H42O2S/c1-5-7-11-15-20(16-17-23-21(22)6-2)24-18-13-10-8-9-12-14-19(3)4/h19-20H,5-18H2,1-4H3