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4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid

4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid

Systemtic Name:4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid
Openeye Name:4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid
CAS Name:4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid
IUPAC Name:4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid
Traditional Name:4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitro-benzoic acid
Formula: C11H11N3O12
MolecularWeight: 377.21794
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]


Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]


InChI

InChI=1S/C11H11N3O12/c1-23-9-2-7(11(15)16)8(12(17)18)3-10(9)24-4-6(26-14(21)22)5-25-13(19)20/h2-3,6H,4-5H2,1H3,(H,15,16)


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