azanium 3-methyl-3-sulfanyl-butane-1-sulfonate

Systemtic Name: azanium 3-methyl-3-sulfanyl-butane-1-sulfonate Openeye Name: ammonium 3-methyl-3-sulfanyl-butane-1-sulfonate CAS Name: ammonium 3-mercapto-3-methyl-1-butanesulfonate IUPAC Name: azanium 3-methyl-3-sulfanylbutane-1-sulfonate Traditional Name: ammonium 3-mercapto-3-methyl-butane-1-sulfonate Formula: C5H15NO3S2 MolecularWeight: 201.3075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O3S2.H3N/c1-5(2,9)3-4-10(6,7)8;/h9H,3-4H2,1-2H3,(H,6,7,8);1H3