2,2,4-trimethyl-4-sulfanyl-pentane-1-sulfonic acid

Systemtic Name: 2,2,4-trimethyl-4-sulfanyl-pentane-1-sulfonic acid Openeye Name: 2,2,4-trimethyl-4-sulfanyl-pentane-1-sulfonic acid CAS Name: 4-mercapto-2,2,4-trimethyl-1-pentanesulfonic acid IUPAC Name: 2,2,4-trimethyl-4-sulfanylpentane-1-sulfonic acid Traditional Name: 4-mercapto-2,2,4-trimethyl-pentane-1-sulfonic acid Formula: C8H18O3S2 MolecularWeight: 226.35672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O3S2/c1-7(2,5-8(3,4)12)6-13(9,10)11/h12H,5-6H2,1-4H3,(H,9,10,11)