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

Systemtic Name: methyl 2-cyano-4-methanoyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-formyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-formyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-formyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-formyl-5-mesyl-benzoic acid methyl ester Formula: C11H9NO5S MolecularWeight: 267.25786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)C=O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)C=O)S(=O)(=O)C

InChI

InChI=1S/C11H9NO5S/c1-17-11(14)9-4-10(18(2,15)16)8(6-13)3-7(9)5-12/h3-4,6H,1-2H3