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

Systemtic Name: 6-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)hexanoic acid Openeye Name: 6-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)hexanoic acid CAS Name: 6-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)hexanoic acid IUPAC Name: 6-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)hexanoic acid Traditional Name: 6-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)hexanoic acid Formula: C13H16N2O8 MolecularWeight: 328.27474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O8/c1-23-10-7-9(14(19)20)8(12(13(10)18)15(21)22)5-3-2-4-6-11(16)17/h7,18H,2-6H2,1H3,(H,16,17)