2-chloranyl-2-cyano-2-(4-methylphenyl)sulfonyl-ethanoic acid

Systemtic Name: 2-chloranyl-2-cyano-2-(4-methylphenyl)sulfonyl-ethanoic acid Openeye Name: 2-chloro-2-cyano-2-(p-tolylsulfonyl)acetic acid CAS Name: 2-chloro-2-cyano-2-(4-methylphenyl)sulfonylacetic acid IUPAC Name: 2-chloro-2-cyano-2-(4-methylphenyl)sulfonylacetic acid Traditional Name: 2-chloro-2-cyano-2-tosyl-acetic acid Formula: C10H8ClNO4S MolecularWeight: 273.69282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO4S/c1-7-2-4-8(5-3-7)17(15,16)10(11,6-12)9(13)14/h2-5H,1H3,(H,13,14)