2-(2,2-dimethoxyethyl)-3,5-dinitro-benzoic acid

Systemtic Name: 2-(2,2-dimethoxyethyl)-3,5-dinitro-benzoic acid Openeye Name: 2-(2,2-dimethoxyethyl)-3,5-dinitro-benzoic acid CAS Name: 2-(2,2-dimethoxyethyl)-3,5-dinitrobenzoic acid IUPAC Name: 2-(2,2-dimethoxyethyl)-3,5-dinitrobenzoic acid Traditional Name: 2-(2,2-dimethoxyethyl)-3,5-dinitro-benzoic acid Formula: C11H12N2O8 MolecularWeight: 300.22158

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC(CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C11H12N2O8/c1-20-10(21-2)5-7-8(11(14)15)3-6(12(16)17)4-9(7)13(18)19/h3-4,10H,5H2,1-2H3,(H,14,15)