methyl 4,5-dimethyl-5-sulfanyl-hexane-3-sulfonate

Systemtic Name: methyl 4,5-dimethyl-5-sulfanyl-hexane-3-sulfonate Openeye Name: methyl 4,5-dimethyl-5-sulfanyl-hexane-3-sulfonate CAS Name: 5-mercapto-4,5-dimethyl-3-hexanesulfonic acid IUPAC Name: methyl 4,5-dimethyl-5-sulfanylhexane-3-sulfonate Traditional Name: 5-mercapto-4,5-dimethyl-hexane-3-sulfonic acid methyl ester Formula: C9H20O3S2 MolecularWeight: 240.3833

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C)(C)S)S(=O)(=O)OC

Isomeric SMILES

CCC(C(C)C(C)(C)S)S(=O)(=O)OC

InChI

InChI=1S/C9H20O3S2/c1-6-8(14(10,11)12-5)7(2)9(3,4)13/h7-8,13H,6H2,1-5H3