1,6-bis(1H-imidazol-5-yl)-2,3,4,5-tetrakis(oxidanyl)hexane-1,6-dione

Systemtic Name: 1,6-bis(1H-imidazol-5-yl)-2,3,4,5-tetrakis(oxidanyl)hexane-1,6-dione Openeye Name: 2,3,4,5-tetrahydroxy-1,6-bis(1H-imidazol-5-yl)hexane-1,6-dione CAS Name: 2,3,4,5-tetrahydroxy-1,6-bis(1H-imidazol-5-yl)hexane-1,6-dione IUPAC Name: 2,3,4,5-tetrahydroxy-1,6-bis(1H-imidazol-5-yl)hexane-1,6-dione Traditional Name: 2,3,4,5-tetrahydroxy-1,6-bis(1H-imidazol-5-yl)hexane-1,6-dione Formula: C12H14N4O6 MolecularWeight: 310.26276

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C(=O)C(C(C(C(C(=O)C2=CN=CN2)O)O)O)O

Isomeric SMILES

C1=C(NC=N1)C(=O)C(C(C(C(C(=O)C2=CN=CN2)O)O)O)O

InChI

InChI=1S/C12H14N4O6/c17-7(5-1-13-3-15-5)9(19)11(21)12(22)10(20)8(18)6-2-14-4-16-6/h1-4,9-12,19-22H,(H,13,15)(H,14,16)