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

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-cyano-3-hexadecanoyloxy-oxolan-2-yl]methyl hexadecanoate Openeye Name: [2-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [2-cyano-5-(2,4-dioxo-1-pyrimidinyl)-3-(1-oxohexadecoxy)-2-oxolanyl]methyl ester IUPAC Name: [2-cyano-5-(2,4-dioxopyrimidin-1-yl)-3-hexadecanoyloxyoxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [2-cyano-5-(2,4-diketopyrimidin-1-yl)-3-hexadecanoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C42H71N3O7 MolecularWeight: 730.02904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1(C(CC(O1)N2C=CC(=O)NC2=O)OC(=O)CCCCCCCCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1(C(CC(O1)N2C=CC(=O)NC2=O)OC(=O)CCCCCCCCCCCCCCC)C#N

InChI

InChI=1S/C42H71N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(47)50-35-42(34-43)36(33-38(52-42)45-32-31-37(46)44-41(45)49)51-40(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,36,38H,3-30,33,35H2,1-2H3,(H,44,46,49)