[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-oxidanyl-propan-2-yl] henicosanoate

Systemtic Name: [(2S)-1-[(Z)-icos-11-enoyl]oxy-3-oxidanyl-propan-2-yl] henicosanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[(Z)-icos-11-enoyl]oxy-ethyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-1-hydroxy-3-[(Z)-1-oxoeicos-11-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] henicosanoate Traditional Name: heneicosanoic acid [(1S)-1-[[(Z)-eicos-11-enoyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C44H84O5 MolecularWeight: 693.13476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H84O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,42,45H,3-17,19,21-41H2,1-2H3/b20-18-/t42-/m0/s1