2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate; (E)-octadec-9-enoate

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate; (E)-octadec-9-enoate Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate; (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoate; (E)-9-octadecenoic acid 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl ester IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate; (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoate; (E)-octadec-9-enoic acid 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl ester Formula: C75H137O8- MolecularWeight: 1166.88548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H104O6.C18H34O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h25-30,54H,4-24,31-53H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b28-25+,29-26+,30-27+;10-9+