7-[9,10-bis(oxidanyl)decyl]-3,7-dimethyl-purin-7-ium-2,6-dione

Systemtic Name: 7-[9,10-bis(oxidanyl)decyl]-3,7-dimethyl-purin-7-ium-2,6-dione Openeye Name: 7-(9,10-dihydroxydecyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(9,10-dihydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(9,10-dihydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-(9,10-dihydroxydecyl)-3,7-dimethyl-purin-7-ium-2,6-quinone Formula: C17H29N4O4+ MolecularWeight: 353.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-20-15-14(16(24)19-17(20)25)21(2,12-18-15)10-8-6-4-3-5-7-9-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3/p+1