(3-tert-butylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (3-tert-butylphenyl) 3,5-dinitrobenzoate Openeye Name: (3-tert-butylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-tert-butylphenyl) ester IUPAC Name: (3-tert-butylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-tert-butylphenyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-17(2,3)12-5-4-6-15(9-12)25-16(20)11-7-13(18(21)22)10-14(8-11)19(23)24/h4-10H,1-3H3