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

Systemtic Name: [(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] ester Formula: C61H112O6 MolecularWeight: 941.53838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C61H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h25-28,32-33,58H,4-24,29-31,34-57H2,1-3H3/b28-25-,32-26-,33-27-/t58-/m1/s1