1-cyanoethyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: 1-cyanoethyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 1-cyanoethyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 1-cyanoethyl ester Formula: C11H10ClNO4S MolecularWeight: 287.7194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C11H10ClNO4S/c1-7(6-13)17-11(14)9-5-8(18(2,15)16)3-4-10(9)12/h3-5,7H,1-2H3