[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-hexadecanoyloxy-oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-hexadecanoyloxy-oxolan-2-yl]methyl hexadecanoate Openeye Name: [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-(1-oxohexadecoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hexadecanoyloxyoxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C41H71FN2O7 MolecularWeight: 723.010043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H71FN2O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(45)49-33-36-35(31-37(50-36)44-32-34(42)40(47)43-41(44)48)51-39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,35-37H,3-31,33H2,1-2H3,(H,43,47,48)