2,3-bis[[(E)-2-dodecyl-3-oxidanylidene-icos-11-enoyl]oxy]propyl (E)-2-dodecyl-3-oxidanylidene-icos-11-enoate

Systemtic Name: 2,3-bis[[(E)-2-dodecyl-3-oxidanylidene-icos-11-enoyl]oxy]propyl (E)-2-dodecyl-3-oxidanylidene-icos-11-enoate Openeye Name: 2,3-bis[[(E)-2-dodecyl-3-oxo-icos-11-enoyl]oxy]propyl (E)-2-dodecyl-3-oxo-icos-11-enoate CAS Name: (E)-2-dodecyl-3-oxo-11-eicosenoic acid 2,3-bis[(E)-2-dodecyl-1,3-dioxoeicos-11-enoxy]propyl ester IUPAC Name: 2,3-bis[[(E)-2-dodecyl-3-oxoicos-11-enoyl]oxy]propyl (E)-2-dodecyl-3-oxoicos-11-enoate Traditional Name: (E)-3-keto-2-lauryl-eicos-11-enoic acid 2,3-bis[[(E)-3-keto-2-lauryl-eicos-11-enoyl]oxy]propyl ester Formula: C99H182O9 MolecularWeight: 1516.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C99H182O9/c1-7-13-19-25-31-37-43-46-49-52-55-61-67-73-79-85-94(100)91(82-76-70-64-58-40-34-28-22-16-10-4)97(103)106-88-90(108-99(105)93(84-78-72-66-60-42-36-30-24-18-12-6)96(102)87-81-75-69-63-57-54-51-48-45-39-33-27-21-15-9-3)89-107-98(104)92(83-77-71-65-59-41-35-29-23-17-11-5)95(101)86-80-74-68-62-56-53-50-47-44-38-32-26-20-14-8-2/h46-51,90-93H,7-45,52-89H2,1-6H3/b49-46+,50-47+,51-48+