2-sulfanylethyl 3,5,5-trimethylhexanoate

Systemtic Name: 2-sulfanylethyl 3,5,5-trimethylhexanoate Openeye Name: 2-sulfanylethyl 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid 2-mercaptoethyl ester Formula: C11H22O2S MolecularWeight: 218.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCS)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OCCS)CC(C)(C)C

InChI

InChI=1S/C11H22O2S/c1-9(8-11(2,3)4)7-10(12)13-5-6-14/h9,14H,5-8H2,1-4H3