azanium 2-methyl-4-sulfanyl-pentane-1-sulfonate

Systemtic Name: azanium 2-methyl-4-sulfanyl-pentane-1-sulfonate Openeye Name: ammonium 2-methyl-4-sulfanyl-pentane-1-sulfonate CAS Name: ammonium 4-mercapto-2-methyl-1-pentanesulfonate IUPAC Name: azanium 2-methyl-4-sulfanylpentane-1-sulfonate Traditional Name: ammonium 4-mercapto-2-methyl-pentane-1-sulfonate Formula: C6H17NO3S2 MolecularWeight: 215.33408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)S)CS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC(CC(C)S)CS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C6H14O3S2.H3N/c1-5(3-6(2)10)4-11(7,8)9;/h5-6,10H,3-4H2,1-2H3,(H,7,8,9);1H3