(4-methoxycarbonylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (4-carbomethoxybenzyl) ester Formula: C23H16F3NO6S MolecularWeight: 491.43645

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H16F3NO6S/c1-32-21(28)15-8-6-14(7-9-15)13-33-22(29)17-4-2-3-5-19(17)34-20-11-10-16(23(24,25)26)12-18(20)27(30)31/h2-12H,13H2,1H3