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

Systemtic Name: methyl 2-cyano-4-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-methyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-methyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-5-mesyl-4-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)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

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

InChI

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