[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate

Systemtic Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate Openeye Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [(2S)-3-[(Z)-1-oxohexadec-9-enoxy]-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] docosanoate Traditional Name: behenic acid [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C59H110O6 MolecularWeight: 915.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(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)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24,26,31,56H,4-20,22-23,25,27-30,32-55H2,1-3H3/b24-21-,31-26-/t56-/m1/s1