methyl 4-cyano-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyano-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-cyano-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-cyano-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyano-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-cyano-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-7-4-8(6-12)10(17(3,14)15)5-9(7)11(13)16-2/h4-5H,1-3H3