[4-(cyanomethyl)phenyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [4-(cyanomethyl)phenyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester Formula: C16H11F2NO4S MolecularWeight: 351.324646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC(=CC=C1CC#N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C16H11F2NO4S/c17-16(18)24(21,22)14-7-3-12(4-8-14)15(20)23-13-5-1-11(2-6-13)9-10-19/h1-8,16H,9H2