cyanomethyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: cyanomethyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: cyanomethyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid cyanomethyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-8-3-4-9(17(2,14)15)7-10(8)11(13)16-6-5-12/h3-4,7H,6H2,1-2H3