3-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl (E)-tetracos-15-enoate

Systemtic Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl (E)-tetracos-15-enoate Openeye Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl (E)-tetracos-15-enoate CAS Name: (E)-15-tetracosenoic acid 3-[(6E,9E,12E)-1-oxooctadeca-6,9,12-trienoxy]propyl ester IUPAC Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl (E)-tetracos-15-enoate Traditional Name: (E)-tetracos-15-enoic acid 3-[(6E,9E,12E)-octadeca-6,9,12-trienoyl]oxypropyl ester Formula: C45H80O4 MolecularWeight: 685.1143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)OCCCOC(=O)CCCC/C=C/C/C=C/C/C=C/CCCCC

InChI

InChI=1S/C45H80O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-41-45(47)49-43-39-42-48-44(46)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31H,3-11,13,15-16,20-24,26-28,30,32-43H2,1-2H3/b14-12+,19-17+,25-18+,31-29+