[4-(2,3-dinitrooxypropyl)-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-(2,3-dinitrooxypropyl)-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-(2,3-dinitrooxypropyl)-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-(2,3-dinitrooxypropyl)-2,6-dimethoxyphenyl] ester IUPAC Name: [4-(2,3-dinitrooxypropyl)-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-(2,3-dinitrooxypropyl)-2,6-dimethoxy-phenyl] ester Formula: C13H16N2O10 MolecularWeight: 360.27354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)CC(CO[N+](=O)[O-])O[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)CC(CO[N+](=O)[O-])O[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N2O10/c1-8(16)24-13-11(21-2)5-9(6-12(13)22-3)4-10(25-15(19)20)7-23-14(17)18/h5-6,10H,4,7H2,1-3H3