[2-[(E)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-hexacos-9-enoate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-hexacos-9-enoate Openeye Name: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-hexacos-9-enoate CAS Name: (E)-9-hexacosenoic acid [3-hydroxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-hexacos-9-enoate Traditional Name: (E)-hexacos-9-enoic acid [3-hydroxy-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C47H88O5 MolecularWeight: 733.19862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h18,26-28,45,48H,3-17,19-25,29-44H2,1-2H3/b27-18+,28-26+