(3,5-dimethylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (3,5-dimethylphenyl) 3,5-dinitrobenzoate Openeye Name: (3,5-dimethylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3,5-dimethylphenyl) ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c1-9-3-10(2)5-14(4-9)23-15(18)11-6-12(16(19)20)8-13(7-11)17(21)22/h3-8H,1-2H3