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

Systemtic Name: (5-methyl-2-nitro-phenyl) 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (5-methyl-2-nitro-phenyl) 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C15H11F2NO6S MolecularWeight: 371.312746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C15H11F2NO6S/c1-9-2-7-12(18(20)21)13(8-9)24-14(19)10-3-5-11(6-4-10)25(22,23)15(16)17/h2-8,15H,1H3