[6-(hydroxymethyl)-2-methyl-2-octadecanoyloxy-4,5-bis(oxidanyl)oxan-3-yl] octadecanoate

Systemtic Name: [6-(hydroxymethyl)-2-methyl-2-octadecanoyloxy-4,5-bis(oxidanyl)oxan-3-yl] octadecanoate Openeye Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-octadecanoyloxy-tetrahydropyran-3-yl] octadecanoate CAS Name: octadecanoic acid [4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-(1-oxooctadecoxy)-3-oxanyl] ester IUPAC Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-methyl-2-octadecanoyloxyoxan-3-yl] octadecanoate Traditional Name: stearic acid (4,5-dihydroxy-2-methyl-6-methylol-2-stearoyloxy-tetrahydropyran-3-yl) ester Formula: C43H82O8 MolecularWeight: 727.10638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1(C)OC(=O)CCCCCCCCCCCCCCCCC)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1(C)OC(=O)CCCCCCCCCCCCCCCCC)CO)O)O

InChI

InChI=1S/C43H82O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(45)49-42-41(48)40(47)37(36-44)50-43(42,3)51-39(46)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37,40-42,44,47-48H,4-36H2,1-3H3