4-sulfanylbutyl 2,2,3-trimethylhexanoate

Systemtic Name: 4-sulfanylbutyl 2,2,3-trimethylhexanoate Openeye Name: 4-sulfanylbutyl 2,2,3-trimethylhexanoate CAS Name: 2,2,3-trimethylhexanoic acid 4-mercaptobutyl ester IUPAC Name: 4-sulfanylbutyl 2,2,3-trimethylhexanoate Traditional Name: 2,2,3-trimethylhexanoic acid 4-mercaptobutyl ester Formula: C13H26O2S MolecularWeight: 246.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C)(C)C(=O)OCCCCS

Isomeric SMILES

CCCC(C)C(C)(C)C(=O)OCCCCS

InChI

InChI=1S/C13H26O2S/c1-5-8-11(2)13(3,4)12(14)15-9-6-7-10-16/h11,16H,5-10H2,1-4H3