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

Systemtic Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid (4-cyclohexylphenyl) ester Formula: C21H20F3NO6S2 MolecularWeight: 503.51181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)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

C1CCC(CC1)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/C21H20F3NO6S2/c22-21(23,24)33(29,30)17-10-11-19(18(12-17)25(27)28)32-13-20(26)31-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2