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

Systemtic Name: 2-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]ethanoic acid Openeye Name: 2-(3,4-dihydroxy-2,6-dinitro-phenyl)acetic acid CAS Name: 2-(3,4-dihydroxy-2,6-dinitrophenyl)acetic acid IUPAC Name: 2-(3,4-dihydroxy-2,6-dinitrophenyl)acetic acid Traditional Name: 2-(3,4-dihydroxy-2,6-dinitro-phenyl)acetic acid Formula: C8H6N2O8 MolecularWeight: 258.14184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O8/c11-5-2-4(9(15)16)3(1-6(12)13)7(8(5)14)10(17)18/h2,11,14H,1H2,(H,12,13)