2-methyl-4-sulfanyl-pentane-1-sulfonic acid

Systemtic Name: 2-methyl-4-sulfanyl-pentane-1-sulfonic acid Openeye Name: 2-methyl-4-sulfanyl-pentane-1-sulfonic acid CAS Name: 4-mercapto-2-methyl-1-pentanesulfonic acid IUPAC Name: 2-methyl-4-sulfanylpentane-1-sulfonic acid Traditional Name: 4-mercapto-2-methyl-pentane-1-sulfonic acid Formula: C6H14O3S2 MolecularWeight: 198.30356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O3S2/c1-5(3-6(2)10)4-11(7,8)9/h5-6,10H,3-4H2,1-2H3,(H,7,8,9)