sodium 3-(2-cyanoethylsulfanyl)propane-1-sulfonate

Systemtic Name: sodium 3-(2-cyanoethylsulfanyl)propane-1-sulfonate Openeye Name: sodium 3-(2-cyanoethylsulfanyl)propane-1-sulfonate CAS Name: sodium 3-(2-cyanoethylthio)-1-propanesulfonate IUPAC Name: sodium 3-(2-cyanoethylsulfanyl)propane-1-sulfonate Traditional Name: sodium 3-(2-cyanoethylthio)propane-1-sulfonate Formula: C6H10NNaO3S2 MolecularWeight: 231.26827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11NO3S2.Na/c7-3-1-4-11-5-2-6-12(8,9)10;/h1-2,4-6H2,(H,8,9,10);/q;+1/p-1