methyl 2,4,6-trinitrobenzoate

Systemtic Name: methyl 2,4,6-trinitrobenzoate Openeye Name: methyl 2,4,6-trinitrobenzoate CAS Name: 2,4,6-trinitrobenzoic acid methyl ester IUPAC Name: methyl 2,4,6-trinitrobenzoate Traditional Name: 2,4,6-trinitrobenzoic acid methyl ester Formula: C8H5N3O8 MolecularWeight: 271.1406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O8/c1-19-8(12)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3