5-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]pentanoic acid

Systemtic Name: 5-[2,6-dinitro-3,4-bis(oxidanyl)phenyl]pentanoic acid Openeye Name: 5-(3,4-dihydroxy-2,6-dinitro-phenyl)pentanoic acid CAS Name: 5-(3,4-dihydroxy-2,6-dinitrophenyl)pentanoic acid IUPAC Name: 5-(3,4-dihydroxy-2,6-dinitrophenyl)pentanoic acid Traditional Name: 5-(3,4-dihydroxy-2,6-dinitro-phenyl)valeric acid Formula: C11H12N2O8 MolecularWeight: 300.22158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O8/c14-8-5-7(12(18)19)6(3-1-2-4-9(15)16)10(11(8)17)13(20)21/h5,14,17H,1-4H2,(H,15,16)