[2-[icosanoyloxy(phenyl)methyl]-3-oxidanylidene-3-propoxy-propyl] icosanoate

Systemtic Name: [2-[icosanoyloxy(phenyl)methyl]-3-oxidanylidene-3-propoxy-propyl] icosanoate Openeye Name: [2-[icosanoyloxy(phenyl)methyl]-3-oxo-3-propoxy-propyl] icosanoate CAS Name: eicosanoic acid [3-oxo-2-[1-oxoeicosoxy(phenyl)methyl]-3-propoxypropyl] ester IUPAC Name: [2-[icosanoyloxy(phenyl)methyl]-3-oxo-3-propoxypropyl] icosanoate Traditional Name: arachidic acid [2-[eicosanoyloxy(phenyl)methyl]-3-keto-3-propoxy-propyl] ester Formula: C53H94O6 MolecularWeight: 827.30986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCC)C(=O)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCC)C(=O)OCCC

InChI

InChI=1S/C53H94O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-44-50(54)58-47-49(53(56)57-46-6-3)52(48-42-38-37-39-43-48)59-51(55)45-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-39,42-43,49,52H,4-36,40-41,44-47H2,1-3H3