(2S,3S,4R)-2-ethyl-4-methyl-4-sulfanyl-hexane-1,3-diol

Systemtic Name: (2S,3S,4R)-2-ethyl-4-methyl-4-sulfanyl-hexane-1,3-diol Openeye Name: (2S,3S,4R)-2-ethyl-4-methyl-4-sulfanyl-hexane-1,3-diol CAS Name: (2S,3S,4R)-2-ethyl-4-mercapto-4-methylhexane-1,3-diol IUPAC Name: (2S,3S,4R)-2-ethyl-4-methyl-4-sulfanylhexane-1,3-diol Traditional Name: (2S,3S,4R)-2-ethyl-4-mercapto-4-methyl-hexane-1,3-diol Formula: C9H20O2S MolecularWeight: 192.3189

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C(C(C)(CC)S)O

Isomeric SMILES

CC[C@@H](CO)[C@@H]([C@@](C)(CC)S)O

InChI

InChI=1S/C9H20O2S/c1-4-7(6-10)8(11)9(3,12)5-2/h7-8,10-12H,4-6H2,1-3H3/t7-,8-,9+/m0/s1