[(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] docosanoate

Systemtic Name: [(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[(Z)-octadec-9-enoyl]oxy-ethyl] docosanoate CAS Name: docosanoic acid [(2S)-1-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1S)-1-methylol-2-[(Z)-octadec-9-enoyl]oxy-ethyl] ester Formula: C43H82O5 MolecularWeight: 679.10818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,41,44H,3-17,19-22,24-40H2,1-2H3/b23-18-/t41-/m0/s1