[2,2-bis(hydroxymethyl)-3-octadecyl-3-propanoyloxy-henicosyl] propanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-octadecyl-3-propanoyloxy-henicosyl] propanoate Openeye Name: [2,2-bis(hydroxymethyl)-3-octadecyl-3-propanoyloxy-henicosyl] propanoate CAS Name: propanoic acid [2,2-bis(hydroxymethyl)-3-octadecyl-3-(1-oxopropoxy)heneicosyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-octadecyl-3-propanoyloxyhenicosyl] propanoate Traditional Name: propionic acid (2,2-dimethylol-3-propionyloxy-3-stearyl-heneicosyl) ester Formula: C47H92O6 MolecularWeight: 753.22978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H92O6/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-47(53-45(51)8-4,46(41-48,42-49)43-52-44(50)7-3)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h48-49H,5-43H2,1-4H3