1-[3-ethyl-1-(1-oxidanidyloctadecyl)-2,6-bis(oxidanylidene)purin-7-yl]octadecan-1-olate

Systemtic Name: 1-[3-ethyl-1-(1-oxidanidyloctadecyl)-2,6-bis(oxidanylidene)purin-7-yl]octadecan-1-olate Openeye Name: 1-[3-ethyl-1-(1-oxidooctadecyl)-2,6-dioxo-purin-7-yl]octadecan-1-olate CAS Name: 1-[3-ethyl-1-(1-oxidooctadecyl)-2,6-dioxo-7-purinyl]-1-octadecanolate IUPAC Name: 1-[3-ethyl-1-(1-oxidooctadecyl)-2,6-dioxopurin-7-yl]octadecan-1-olate Traditional Name: 1-[3-ethyl-2,6-diketo-1-(1-oxidooctadecyl)purin-7-yl]octadecan-1-olate Formula: C43H78N4O4-2 MolecularWeight: 715.10382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC)C(CCCCCCCCCCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CC)C(CCCCCCCCCCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C43H78N4O4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(48)46-37-44-41-40(46)42(50)47(43(51)45(41)6-3)39(49)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-39H,4-36H2,1-3H3/q-2