(2,4-ditert-butyl-6-nitro-phenyl) 3-(trifluoromethyl)benzoate

Systemtic Name: (2,4-ditert-butyl-6-nitro-phenyl) 3-(trifluoromethyl)benzoate Openeye Name: (2,4-ditert-butyl-6-nitro-phenyl) 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid (2,4-ditert-butyl-6-nitrophenyl) ester IUPAC Name: (2,4-ditert-butyl-6-nitrophenyl) 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (2,4-ditert-butyl-6-nitro-phenyl) ester Formula: C22H24F3NO4 MolecularWeight: 423.42547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)C(F)(F)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C22H24F3NO4/c1-20(2,3)15-11-16(21(4,5)6)18(17(12-15)26(28)29)30-19(27)13-8-7-9-14(10-13)22(23,24)25/h7-12H,1-6H3