4-[cyano(dimethyl)azaniumyl]-2-methylsulfonyl-3-perchloryloxy-butanoate

Systemtic Name: 4-[cyano(dimethyl)azaniumyl]-2-methylsulfonyl-3-perchloryloxy-butanoate Openeye Name: 4-[cyano(dimethyl)ammonio]-2-methylsulfonyl-3-perchloryloxy-butanoate CAS Name: 4-[cyano(dimethyl)ammonio]-2-methylsulfonyl-3-perchloryloxybutanoate IUPAC Name: 4-[cyano(dimethyl)azaniumyl]-2-methylsulfonyl-3-perchloryloxybutanoate Traditional Name: 4-[cyano(dimethyl)ammonio]-2-mesyl-3-perchloryloxy-butyrate Formula: C8H13ClN2O8S MolecularWeight: 332.71542

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(C(C(=O)[O-])S(=O)(=O)C)OCl(=O)(=O)=O)C#N

Isomeric SMILES

C[N+](C)(CC(C(C(=O)[O-])S(=O)(=O)C)OCl(=O)(=O)=O)C#N

InChI

InChI=1S/C8H13ClN2O8S/c1-11(2,5-10)4-6(19-9(14,15)16)7(8(12)13)20(3,17)18/h6-7H,4H2,1-3H3