sodium; propanenitrile; 3-sulfanylpropane-1-sulfonate

Systemtic Name: sodium; propanenitrile; 3-sulfanylpropane-1-sulfonate Openeye Name: sodium; propanenitrile; 3-sulfanylpropane-1-sulfonate CAS Name: sodium; 3-mercapto-1-propanesulfonate; propanenitrile IUPAC Name: sodium; propanenitrile; 3-sulfanylpropane-1-sulfonate Traditional Name: sodium; 3-mercaptopropane-1-sulfonate; propionitrile Formula: C6H12NNaO3S2 MolecularWeight: 233.28415

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Descriptors Computed from Structure

Canonical SMILES:

CCC#N.C(CS)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC#N.C(CS)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C3H5N.C3H8O3S2.Na/c1-2-3-4;4-8(5,6)3-1-2-7;/h2H2,1H3;7H,1-3H2,(H,4,5,6);/q;;+1/p-1