sodium 3-ethanoylsulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-ethanoylsulfanylpropane-1-sulfonate Openeye Name: sodium 3-acetylsulfanylpropane-1-sulfonate CAS Name: sodium 3-(acetylthio)-1-propanesulfonate IUPAC Name: sodium 3-acetylsulfanylpropane-1-sulfonate Traditional Name: sodium 3-(acetylthio)propane-1-sulfonate Formula: C5H9NaO4S2 MolecularWeight: 220.24233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H10O4S2.Na/c1-5(6)10-3-2-4-11(7,8)9;/h2-4H2,1H3,(H,7,8,9);/q;+1/p-1