azanium 4-sulfanylbutane-2-sulfonate

Systemtic Name: azanium 4-sulfanylbutane-2-sulfonate Openeye Name: ammonium 4-sulfanylbutane-2-sulfonate CAS Name: ammonium 4-mercapto-2-butanesulfonate IUPAC Name: azanium 4-sulfanylbutane-2-sulfonate Traditional Name: ammonium 4-mercaptobutane-2-sulfonate Formula: C4H13NO3S2 MolecularWeight: 187.28092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H10O3S2.H3N/c1-4(2-3-8)9(5,6)7;/h4,8H,2-3H2,1H3,(H,5,6,7);1H3