[(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-hexadecanoyloxy-ethyl] hexadecanoate

Systemtic Name: [(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-hexadecanoyloxy-ethyl] hexadecanoate Openeye Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-hexadecanoyloxy-ethyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-(1-oxohexadecoxy)ethyl] ester IUPAC Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-hexadecanoyloxyethyl] hexadecanoate Traditional Name: palmitic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-keto-2-furyl]-2-hexadecanoyloxy-ethyl] ester Formula: C38H68O8 MolecularWeight: 652.94172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(39)44-31-32(37-35(41)36(42)38(43)46-37)45-34(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,37,42-43H,3-31H2,1-2H3/t32-,37+/m0/s1