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4-(2,3-Dinitrooxypropoxy)-5-Methoxy-2-Nitrobenzoic Acid
[CAS# 138452-22-9]

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Identification
Name 4-(2,3-Dinitrooxypropoxy)-5-Methoxy-2-Nitrobenzoic Acid
Synonyms 4-(2,3-Dinitrooxypropoxy)-5-Methoxy-2-Nitro-Benzoic Acid; Vanidil; 4-O-(1,2-Dinitroglyceryl)-6-Nitrovanillic Acid
Molecular Structure CAS#: 138452-22-9, 4-(2,3-Dinitrooxypropoxy)-5-Methoxy-2-Nitrobenzoic Acid
Molecular Formula C11H11N3O12
Molecular Weight 377.22
CAS Registry Number 138452-22-9
SMILES C1=C(C(O)=O)C(=CC(=C1OC)OCC(CO[N+](=O)[O-])O[N+](=O)[O-])[N+]([O-])=O
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)
InChIKey JRNANRLZNOMQEZ-UHFFFAOYSA-N
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