3-cyanopropyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 3-cyanopropyl ester Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCCC#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCCC#N

InChI

InChI=1S/C12H12ClNO4S/c1-19(16,17)9-4-5-11(13)10(8-9)12(15)18-7-3-2-6-14/h4-5,8H,2-3,7H2,1H3