(2-bromanyl-4-methyl-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C15H11BrF2O4S MolecularWeight: 405.211246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F)Br

InChI

InChI=1S/C15H11BrF2O4S/c1-9-2-7-13(12(16)8-9)22-14(19)10-3-5-11(6-4-10)23(20,21)15(17)18/h2-8,15H,1H3