methyl 3,5-dinitro-4-oxidanyl-benzoate dihydrochloride

Systemtic Name: methyl 3,5-dinitro-4-oxidanyl-benzoate dihydrochloride Openeye Name: methyl 4-hydroxy-3,5-dinitro-benzoate dihydrochloride CAS Name: 4-hydroxy-3,5-dinitrobenzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-hydroxy-3,5-dinitrobenzoate dihydrochloride Traditional Name: 4-hydroxy-3,5-dinitro-benzoic acid methyl ester dihydrochloride Formula: C8H8Cl2N2O7 MolecularWeight: 315.06432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O7.2ClH/c1-17-8(12)4-2-5(9(13)14)7(11)6(3-4)10(15)16;;/h2-3,11H,1H3;2*1H