3,3,4-trimethyl-4-sulfanyl-pentane-2-sulfonic acid

Systemtic Name: 3,3,4-trimethyl-4-sulfanyl-pentane-2-sulfonic acid Openeye Name: 3,3,4-trimethyl-4-sulfanyl-pentane-2-sulfonic acid CAS Name: 4-mercapto-3,3,4-trimethyl-2-pentanesulfonic acid IUPAC Name: 3,3,4-trimethyl-4-sulfanylpentane-2-sulfonic acid Traditional Name: 4-mercapto-3,3,4-trimethyl-pentane-2-sulfonic acid Formula: C8H18O3S2 MolecularWeight: 226.35672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O3S2/c1-6(13(9,10)11)7(2,3)8(4,5)12/h6,12H,1-5H3,(H,9,10,11)