2-ethylhexyl 4-sulfanylbutanoate

Systemtic Name: 2-ethylhexyl 4-sulfanylbutanoate Openeye Name: 2-ethylhexyl 4-sulfanylbutanoate CAS Name: 4-mercaptobutanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-sulfanylbutanoate Traditional Name: 4-mercaptobutyric acid 2-ethylhexyl ester Formula: C12H24O2S MolecularWeight: 232.38276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCCS

Isomeric SMILES

CCCCC(CC)COC(=O)CCCS

InChI

InChI=1S/C12H24O2S/c1-3-5-7-11(4-2)10-14-12(13)8-6-9-15/h11,15H,3-10H2,1-2H3