2,4,5-trimethyl-3-sulfanyl-hexane-3-sulfonate

Systemtic Name: 2,4,5-trimethyl-3-sulfanyl-hexane-3-sulfonate Openeye Name: 2,4,5-trimethyl-3-sulfanyl-hexane-3-sulfonate CAS Name: 3-mercapto-2,4,5-trimethyl-3-hexanesulfonate IUPAC Name: 2,4,5-trimethyl-3-sulfanylhexane-3-sulfonate Traditional Name: 3-mercapto-2,4,5-trimethyl-hexane-3-sulfonate Formula: C9H19O3S2- MolecularWeight: 239.37536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C(C(C)C)(S)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)C(C)C(C(C)C)(S)S(=O)(=O)[O-]

InChI

InChI=1S/C9H20O3S2/c1-6(2)8(5)9(13,7(3)4)14(10,11)12/h6-8,13H,1-5H3,(H,10,11,12)/p-1