4,4-dimethyl-1-sulfanyl-pentane-1-sulfonic acid

Systemtic Name: 4,4-dimethyl-1-sulfanyl-pentane-1-sulfonic acid Openeye Name: 4,4-dimethyl-1-sulfanyl-pentane-1-sulfonic acid CAS Name: 1-mercapto-4,4-dimethyl-1-pentanesulfonic acid IUPAC Name: 4,4-dimethyl-1-sulfanylpentane-1-sulfonic acid Traditional Name: 1-mercapto-4,4-dimethyl-pentane-1-sulfonic acid Formula: C7H16O3S2 MolecularWeight: 212.33014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16O3S2/c1-7(2,3)5-4-6(11)12(8,9)10/h6,11H,4-5H2,1-3H3,(H,8,9,10)