3-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 3-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 3-(3,4-dihydroxy-2,6-dinitro-phenyl)propanoic acid CAS Name: 3-(3,4-dihydroxy-2,6-dinitrophenyl)propanoic acid IUPAC Name: 3-(3,4-dihydroxy-2,6-dinitrophenyl)propanoic acid Traditional Name: 3-(3,4-dihydroxy-2,6-dinitro-phenyl)propionic acid Formula: C9H8N2O8 MolecularWeight: 272.16842

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1O)O)[N+](=O)[O-])CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=C(C(=C1O)O)[N+](=O)[O-])CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O8/c12-6-3-5(10(16)17)4(1-2-7(13)14)8(9(6)15)11(18)19/h3,12,15H,1-2H2,(H,13,14)