2-cyano-2-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-cyano-2-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 2-cyano-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-cyano-2-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 2-cyano-2-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 2-cyano-2-tosyl-propionic acid Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)(C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)(C#N)C(=O)O

InChI

InChI=1S/C11H11NO4S/c1-8-3-5-9(6-4-8)17(15,16)11(2,7-12)10(13)14/h3-6H,1-2H3,(H,13,14)