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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H13F3N2O6S2 MolecularWeight: 522.47363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N2O6S2/c23-22(24,25)35(31,32)18-9-10-20(19(11-18)27(29)30)34-13-21(28)33-17-7-5-16(6-8-17)15-3-1-14(12-26)2-4-15/h1-11H,13H2