7-[8,9-bis(oxidanyl)nonyl]-3,7-dimethyl-purin-7-ium-2,6-dione

Systemtic Name: 7-[8,9-bis(oxidanyl)nonyl]-3,7-dimethyl-purin-7-ium-2,6-dione Openeye Name: 7-(8,9-dihydroxynonyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(8,9-dihydroxynonyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(8,9-dihydroxynonyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-(8,9-dihydroxynonyl)-3,7-dimethyl-purin-7-ium-2,6-quinone Formula: C16H27N4O4+ MolecularWeight: 339.40998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CCCCCCCC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CCCCCCCC(CO)O

InChI

InChI=1S/C16H26N4O4/c1-19-14-13(15(23)18-16(19)24)20(2,11-17-14)9-7-5-3-4-6-8-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3/p+1