2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-19,20,21-tris[[(E)-hexadec-9-enoyl]oxy]henicosa-9,12-dienoate

Systemtic Name: 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-19,20,21-tris[[(E)-hexadec-9-enoyl]oxy]henicosa-9,12-dienoate Openeye Name: 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-19,20,21-tris[[(E)-hexadec-9-enoyl]oxy]henicosa-9,12-dienoate CAS Name: (9E,12E)-19,20,21-tris[(E)-1-oxohexadec-9-enoxy]heneicosa-9,12-dienoic acid 2,3-bis[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl ester IUPAC Name: 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl (9E,12E)-19,20,21-tris[[(E)-hexadec-9-enoyl]oxy]henicosa-9,12-dienoate Traditional Name: (9E,12E)-19,20,21-tris[[(E)-hexadec-9-enoyl]oxy]heneicosa-9,12-dienoic acid 2,3-bis[[(9E,12E)-octadeca-9,12-dienoyl]oxy]propyl ester Formula: C108H188O12 MolecularWeight: 1678.64112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(C(CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC(C(CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)OC(=O)CCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C108H188O12/c1-6-11-16-21-26-31-36-41-44-52-57-63-70-77-84-91-103(109)115-97-100(118-106(112)94-87-80-73-66-61-54-45-42-37-32-27-22-17-12-7-2)98-116-104(110)92-85-78-71-64-58-53-47-43-46-51-55-62-69-76-83-90-101(119-107(113)95-88-81-74-67-59-49-39-34-29-24-19-14-9-4)102(120-108(114)96-89-82-75-68-60-50-40-35-30-25-20-15-10-5)99-117-105(111)93-86-79-72-65-56-48-38-33-28-23-18-13-8-3/h26-27,31-35,38-45,47,51,55,100-102H,6-25,28-30,36-37,46,48-50,52-54,56-99H2,1-5H3/b31-26+,32-27+,38-33+,39-34+,40-35+,44-41+,45-42+,47-43+,55-51+