3-(3,5-dinitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3,5-dinitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(4-hydroxy-3,5-dinitro-phenyl)propanoic acid CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid IUPAC Name: 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid Formula: C9H8N2O7 MolecularWeight: 256.16902

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C9H8N2O7/c12-8(13)2-1-5-3-6(10(15)16)9(14)7(4-5)11(17)18/h3-4,14H,1-2H2,(H,12,13)