5-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)pentanoic acid

Systemtic Name: 5-(4-methoxy-2,6-dinitro-3-oxidanyl-phenyl)pentanoic acid Openeye Name: 5-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)pentanoic acid CAS Name: 5-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)pentanoic acid IUPAC Name: 5-(3-hydroxy-4-methoxy-2,6-dinitrophenyl)pentanoic acid Traditional Name: 5-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)valeric acid Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O8/c1-22-9-6-8(13(18)19)7(4-2-3-5-10(15)16)11(12(9)17)14(20)21/h6,17H,2-5H2,1H3,(H,15,16)