(2-tert-butylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-tert-butylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (2-tert-butylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (2-tert-butylphenyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-11-14(19(22)23)9-12(10-15(11)20(24)25)17(21)26-16-8-6-5-7-13(16)18(2,3)4/h5-10H,1-4H3