methyl 4-[(E)-2-cyano-2-methylsulfonyl-ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-2-methylsulfonyl-ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-2-methylsulfonyl-vinyl]benzoate CAS Name: 4-[(E)-2-cyano-2-methylsulfonylethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-2-methylsulfonylethenyl]benzoate Traditional Name: 4-[(E)-2-cyano-2-mesyl-vinyl]benzoic acid methyl ester Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4S/c1-17-12(14)10-5-3-9(4-6-10)7-11(8-13)18(2,15)16/h3-7H,1-2H3/b11-7+