(4-methanoylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate

Systemtic Name: (4-methanoylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: (4-formylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid (4-formylphenyl) ester Formula: C16H10F3NO7S2 MolecularWeight: 449.37831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=O)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3NO7S2/c17-16(18,19)29(25,26)12-5-6-14(13(7-12)20(23)24)28-9-15(22)27-11-3-1-10(8-21)2-4-11/h1-8H,9H2