[3-[(E)-12-oxidanyloctadec-9-enoyl]oxy-2-[(E)-12-oxidanyltridec-9-enoyl]oxy-propyl] (E)-12-methyloctadec-9-enoate

Systemtic Name: [3-[(E)-12-oxidanyloctadec-9-enoyl]oxy-2-[(E)-12-oxidanyltridec-9-enoyl]oxy-propyl] (E)-12-methyloctadec-9-enoate Openeye Name: [3-[(E)-12-hydroxyoctadec-9-enoyl]oxy-2-[(E)-12-hydroxytridec-9-enoyl]oxy-propyl] (E)-12-methyloctadec-9-enoate CAS Name: (E)-12-methyl-9-octadecenoic acid [3-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]-2-[(E)-12-hydroxy-1-oxotridec-9-enoxy]propyl] ester IUPAC Name: [3-[(E)-12-hydroxyoctadec-9-enoyl]oxy-2-[(E)-12-hydroxytridec-9-enoyl]oxypropyl] (E)-12-methyloctadec-9-enoate Traditional Name: (E)-12-methyloctadec-9-enoic acid [3-[(E)-12-hydroxyoctadec-9-enoyl]oxy-2-[(E)-12-hydroxytridec-9-enoyl]oxy-propyl] ester Formula: C53H96O8 MolecularWeight: 861.32454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H96O8/c1-5-7-9-29-37-47(3)38-30-23-17-11-14-20-26-34-42-51(56)59-45-50(61-53(58)44-36-28-22-15-12-18-24-31-39-48(4)54)46-60-52(57)43-35-27-21-16-13-19-25-33-41-49(55)40-32-10-8-6-2/h23-25,30-31,33,47-50,54-55H,5-22,26-29,32,34-46H2,1-4H3/b30-23+,31-24+,33-25+