19-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]heptatriacontan-19-yl propanoate

Systemtic Name: 19-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]heptatriacontan-19-yl propanoate Openeye Name: [1-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-1-octadecyl-nonadecyl] propanoate CAS Name: propanoic acid 19-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]heptatriacontan-19-yl ester IUPAC Name: 19-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]heptatriacontan-19-yl propanoate Traditional Name: propionic acid [1-(2-hydroxy-1,1-dimethylol-ethyl)-1-stearyl-nonadecyl] ester Formula: C44H88O5 MolecularWeight: 697.16652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(CO)(CO)CO)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(CO)(CO)CO)OC(=O)CC

InChI

InChI=1S/C44H88O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49-42(48)6-3,43(39-45,40-46)41-47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h45-47H,4-41H2,1-3H3