2-(hydroxymethyl)-2-(1-octadecoxynonadecyl)propane-1,3-diol

Systemtic Name: 2-(hydroxymethyl)-2-(1-octadecoxynonadecyl)propane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-(1-octadecoxynonadecyl)propane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-(1-octadecoxynonadecyl)propane-1,3-diol IUPAC Name: 2-(hydroxymethyl)-2-(1-octadecoxynonadecyl)propane-1,3-diol Traditional Name: 2-methylol-2-(1-stearyloxynonadecyl)propane-1,3-diol Formula: C41H84O4 MolecularWeight: 641.10326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(CO)(CO)CO)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CO)(CO)CO)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H84O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(41(37-42,38-43)39-44)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42-44H,3-39H2,1-2H3