methyl 3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate

Systemtic Name: methyl 3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate Openeye Name: methyl 3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate CAS Name: 3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate Traditional Name: 3-(2-nitro-4-triflyl-phenoxy)benzoic acid methyl ester Formula: C15H10F3NO7S MolecularWeight: 405.30261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H10F3NO7S/c1-25-14(20)9-3-2-4-10(7-9)26-13-6-5-11(8-12(13)19(21)22)27(23,24)15(16,17)18/h2-8H,1H3