(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) benzoate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) benzoate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) benzoate CAS Name: benzoic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) benzoate Traditional Name: benzoic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 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-])OC(=O)C2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

InChI

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