[3-[(Z)-docos-13-enoyl]oxy-2-oxidanyl-propyl] (Z)-docos-13-enoate

Systemtic Name: [3-[(Z)-docos-13-enoyl]oxy-2-oxidanyl-propyl] (Z)-docos-13-enoate Openeye Name: [3-[(Z)-docos-13-enoyl]oxy-2-hydroxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [2-hydroxy-3-[(Z)-1-oxodocos-13-enoxy]propyl] ester IUPAC Name: [3-[(Z)-docos-13-enoyl]oxy-2-hydroxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [3-[(Z)-docos-13-enoyl]oxy-2-hydroxy-propyl] ester Formula: C47H88O5 MolecularWeight: 733.19862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-