4-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)butanoic acid

Systemtic Name: 4-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)butanoic acid Openeye Name: 4-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)butanoic acid CAS Name: 4-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)butanoic acid IUPAC Name: 4-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)butanoic acid Traditional Name: 4-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)butyric acid Formula: C11H12N2O8 MolecularWeight: 300.22158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O8/c1-21-8-5-7(12(17)18)6(3-2-4-9(14)15)10(11(8)16)13(19)20/h5,16H,2-4H2,1H3,(H,14,15)