(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2,2,2-tris(chloranyl)ethanoate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C13H13Cl3N2O6 MolecularWeight: 399.61112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)C(Cl)(Cl)Cl)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)C(Cl)(Cl)Cl)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13Cl3N2O6/c1-6-8(17(20)21)5-7(12(2,3)4)10(9(6)18(22)23)24-11(19)13(14,15)16/h5H,1-4H3