sodium 3-propanoylsulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-propanoylsulfanylpropane-1-sulfonate Openeye Name: sodium 3-propanoylsulfanylpropane-1-sulfonate CAS Name: sodium 3-(1-oxopropylthio)-1-propanesulfonate IUPAC Name: sodium 3-propanoylsulfanylpropane-1-sulfonate Traditional Name: sodium 3-(propionylthio)propane-1-sulfonate Formula: C6H11NaO4S2 MolecularWeight: 234.26891

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H12O4S2.Na/c1-2-6(7)11-4-3-5-12(8,9)10;/h2-5H2,1H3,(H,8,9,10);/q;+1/p-1