methyl 4-cyano-2,3-dimethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyano-2,3-dimethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-cyano-2,3-dimethyl-5-methylsulfonyl-benzoate CAS Name: 4-cyano-2,3-dimethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyano-2,3-dimethyl-5-methylsulfonylbenzoate Traditional Name: 4-cyano-5-mesyl-2,3-dimethyl-benzoic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)C#N)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)C#N)C

InChI

InChI=1S/C12H13NO4S/c1-7-8(2)10(6-13)11(18(4,15)16)5-9(7)12(14)17-3/h5H,1-4H3