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

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 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