(2,3,6-trimethylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3,5-dinitrobenzoate Openeye Name: (2,3,6-trimethylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,3,6-trimethylphenyl) ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-9-4-5-10(2)15(11(9)3)24-16(19)12-6-13(17(20)21)8-14(7-12)18(22)23/h4-8H,1-3H3