methyl 4-cyano-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyano-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyano-3-methylsulfonyl-benzoate CAS Name: 4-cyano-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyano-3-methylsulfonylbenzoate Traditional Name: 4-cyano-3-mesyl-benzoic acid methyl ester Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO4S/c1-15-10(12)7-3-4-8(6-11)9(5-7)16(2,13)14/h3-5H,1-2H3