[6-dodecanoyloxy-2,3,4-tris[[(E)-octadec-9-enoyl]oxy]-5-oxidanylidene-hexyl] (E)-octadec-9-enoate

Systemtic Name: [6-dodecanoyloxy-2,3,4-tris[[(E)-octadec-9-enoyl]oxy]-5-oxidanylidene-hexyl] (E)-octadec-9-enoate Openeye Name: [6-dodecanoyloxy-2,3,4-tris[[(E)-octadec-9-enoyl]oxy]-5-oxo-hexyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [5-oxo-6-(1-oxododecoxy)-2,3,4-tris[(E)-1-oxooctadec-9-enoxy]hexyl] ester IUPAC Name: [6-dodecanoyloxy-2,3,4-tris[[(E)-octadec-9-enoyl]oxy]-5-oxohexyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [5-keto-6-lauroyloxy-2,3,4-tris[[(E)-octadec-9-enoyl]oxy]hexyl] ester Formula: C90H162O11 MolecularWeight: 1420.24268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(=O)C(C(C(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(=O)C(C(C(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C90H162O11/c1-6-11-16-21-26-31-35-39-43-47-51-56-61-66-71-76-85(93)98-81-83(99-86(94)77-72-67-62-57-52-48-44-40-36-32-27-22-17-12-7-2)90(101-88(96)79-74-69-64-59-54-50-46-42-38-34-29-24-19-14-9-4)89(82(91)80-97-84(92)75-70-65-60-55-30-25-20-15-10-5)100-87(95)78-73-68-63-58-53-49-45-41-37-33-28-23-18-13-8-3/h39-46,83,89-90H,6-38,47-81H2,1-5H3/b43-39+,44-40+,45-41+,46-42+