methyl 3,3-dimethyl-6-sulfanyl-hexanoate

Systemtic Name: methyl 3,3-dimethyl-6-sulfanyl-hexanoate Openeye Name: methyl 3,3-dimethyl-6-sulfanyl-hexanoate CAS Name: 6-mercapto-3,3-dimethylhexanoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-6-sulfanylhexanoate Traditional Name: 6-mercapto-3,3-dimethyl-hexanoic acid methyl ester Formula: C9H18O2S MolecularWeight: 190.30302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCS)CC(=O)OC

Isomeric SMILES

CC(C)(CCCS)CC(=O)OC

InChI

InChI=1S/C9H18O2S/c1-9(2,5-4-6-12)7-8(10)11-3/h12H,4-7H2,1-3H3