(5-methyl-4-sulfanyl-hexan-2-yl) ethanoate

Systemtic Name: (5-methyl-4-sulfanyl-hexan-2-yl) ethanoate Openeye Name: (1,4-dimethyl-3-sulfanyl-pentyl) acetate CAS Name: acetic acid (4-mercapto-5-methylhexan-2-yl) ester IUPAC Name: (5-methyl-4-sulfanylhexan-2-yl) acetate Traditional Name: acetic acid (3-mercapto-1,4-dimethyl-pentyl) ester Formula: C9H18O2S MolecularWeight: 190.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C)OC(=O)C)S

Isomeric SMILES

CC(C)C(CC(C)OC(=O)C)S

InChI

InChI=1S/C9H18O2S/c1-6(2)9(12)5-7(3)11-8(4)10/h6-7,9,12H,5H2,1-4H3