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

Systemtic Name: (4-tert-butylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (4-tert-butylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (4-tert-butylbenzyl) ester Formula: C25H22F3NO4S MolecularWeight: 489.50669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

CC(C)(C)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/C25H22F3NO4S/c1-24(2,3)17-10-8-16(9-11-17)15-33-23(30)19-6-4-5-7-21(19)34-22-13-12-18(25(26,27)28)14-20(22)29(31)32/h4-14H,15H2,1-3H3