sodium 3-ethanoylsulfanyl-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 3-ethanoylsulfanyl-2-methyl-propane-1-sulfonate Openeye Name: sodium 3-acetylsulfanyl-2-methyl-propane-1-sulfonate CAS Name: sodium 3-(acetylthio)-2-methyl-1-propanesulfonate IUPAC Name: sodium 3-acetylsulfanyl-2-methylpropane-1-sulfonate Traditional Name: sodium 3-(acetylthio)-2-methyl-propane-1-sulfonate Formula: C6H11NaO4S2 MolecularWeight: 234.26891

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(CSC(=O)C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H12O4S2.Na/c1-5(3-11-6(2)7)4-12(8,9)10;/h5H,3-4H2,1-2H3,(H,8,9,10);/q;+1/p-1