5-methylheptyl 3-sulfanylpropanoate

Systemtic Name: 5-methylheptyl 3-sulfanylpropanoate Openeye Name: 5-methylheptyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid 5-methylheptyl ester IUPAC Name: 5-methylheptyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid 5-methylheptyl ester Formula: C11H22O2S MolecularWeight: 218.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCOC(=O)CCS

Isomeric SMILES

CCC(C)CCCCOC(=O)CCS

InChI

InChI=1S/C11H22O2S/c1-3-10(2)6-4-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3