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

Systemtic Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (4-cyclohexylphenyl) ester Formula: C21H20F3NO4S MolecularWeight: 439.44801

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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)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3NO4S/c22-21(23,24)16-8-11-19(18(12-16)25(27)28)30-13-20(26)29-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2