methyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanoate

Systemtic Name: methyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanoate Openeye Name: methyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfonylacetic acid methyl ester Formula: C10H8F3NO8S2 MolecularWeight: 391.29763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3NO8S2/c1-22-9(15)5-23(18,19)8-3-2-6(4-7(8)14(16)17)24(20,21)10(11,12)13/h2-4H,5H2,1H3