4-methyl-3,5-dinitro-2-pentyl-benzoate

Systemtic Name: 4-methyl-3,5-dinitro-2-pentyl-benzoate Openeye Name: 4-methyl-3,5-dinitro-2-pentyl-benzoate CAS Name: 4-methyl-3,5-dinitro-2-pentylbenzoate IUPAC Name: 4-methyl-3,5-dinitro-2-pentylbenzoate Traditional Name: 2-amyl-4-methyl-3,5-dinitro-benzoate Formula: C13H15N2O6- MolecularWeight: 295.268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1C(=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1C(=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-3-4-5-6-9-10(13(16)17)7-11(14(18)19)8(2)12(9)15(20)21/h7H,3-6H2,1-2H3,(H,16,17)/p-1