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

Systemtic Name: 6-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]hexanoic acid Openeye Name: 6-(3,4-dihydroxy-2,6-dinitro-phenyl)hexanoic acid CAS Name: 6-(3,4-dihydroxy-2,6-dinitrophenyl)hexanoic acid IUPAC Name: 6-(3,4-dihydroxy-2,6-dinitrophenyl)hexanoic acid Traditional Name: 6-(3,4-dihydroxy-2,6-dinitro-phenyl)hexanoic acid Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O8/c15-9-6-8(13(19)20)7(11(12(9)18)14(21)22)4-2-1-3-5-10(16)17/h6,15,18H,1-5H2,(H,16,17)