[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-icos-11-enoyl]oxy-propan-2-yl] icosanoate

Systemtic Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-icos-11-enoyl]oxy-propan-2-yl] icosanoate Openeye Name: [(1S)-1-[[(Z)-hexadec-9-enoyl]oxymethyl]-2-[(Z)-icos-11-enoyl]oxy-ethyl] icosanoate CAS Name: eicosanoic acid [(2S)-1-[(Z)-1-oxoeicos-11-enoxy]-3-[(Z)-1-oxohexadec-9-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] icosanoate Traditional Name: arachidic acid [(1S)-1-[[(Z)-eicos-11-enoyl]oxymethyl]-2-[(Z)-hexadec-9-enoyl]oxy-ethyl] ester Formula: C59H110O6 MolecularWeight: 915.5011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m1/s1