[2-butyl-2-hexadecanoyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate

Systemtic Name: [2-butyl-2-hexadecanoyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate Openeye Name: [2-butyl-2-hexadecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [2-butyl-4,5-dihydroxy-6-(hydroxymethyl)-2-(1-oxohexadecoxy)-3-oxanyl] ester IUPAC Name: [2-butyl-2-hexadecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hexadecanoate Traditional Name: palmitic acid (2-butyl-2-hexadecanoyloxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl) ester Formula: C42H80O8 MolecularWeight: 713.0798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1(CCCC)OC(=O)CCCCCCCCCCCCCCC)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1(CCCC)OC(=O)CCCCCCCCCCCCCCC)CO)O)O

InChI

InChI=1S/C42H80O8/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-37(44)48-41-40(47)39(46)36(35-43)49-42(41,34-9-6-3)50-38(45)33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h36,39-41,43,46-47H,4-35H2,1-3H3