ethyl 2-methyl-2-sulfanyl-hexanoate

Systemtic Name: ethyl 2-methyl-2-sulfanyl-hexanoate Openeye Name: ethyl 2-methyl-2-sulfanyl-hexanoate CAS Name: 2-mercapto-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-sulfanylhexanoate Traditional Name: 2-mercapto-2-methyl-hexanoic acid ethyl ester Formula: C9H18O2S MolecularWeight: 190.30302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)OCC)S

Isomeric SMILES

CCCCC(C)(C(=O)OCC)S

InChI

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