[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2,3-bis[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] ester Formula: C57H104O6 MolecularWeight: 885.43206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-/t54-/m1/s1