(Z,Z,Z)-9-Octadecenoic-9,10-T2 acid 1,2,3-Propanetriyl Ester
[CAS# 70805-83-3]

Identification

• Name: (Z,Z,Z)-9-Octadecenoic-9,10-T2 acid 1,2,3-Propanetriyl Ester
• Synonyms: [2-[(Z)-9,10-Ditritiooctadec-9-Enoyl]Oxy-1-[[(Z)-9,10-Ditritiooctadec-9-Enoyl]Oxymethyl]Ethyl] (Z)-9,10-Ditritiooctadec-9-Enoate; (Z)-9,10-Ditritiooctadec-9-Enoic Acid [2-[(Z)-1-Oxo-9,10-Ditritiooctadec-9-Enoxy]-1-[[(Z)-1-Oxo-9,10-Ditritiooctadec-9-Enoxy]Methyl]Ethyl] Ester; (Z)-9,10-Ditritiooctadec-9-Enoic Acid [2-[(Z)-9,10-Ditritiooctadec-9-Enoyl]Oxy-1-[[(Z)-9,10-Ditritiooctadec-9-Enoyl]Oxymethyl]Ethyl] Ester
• Molecular Formula: C₅₇H₉₈T₆O₆
• Molecular Weight: 897.49
• CAS Registry Number: 70805-83-3
• SMILES: C(CCC\C(=C(/CCCCCCCC)[3H])[3H])CCCC(OC(COC(=O)CCCCCCC\C(=C(/CCCCCCCC)[3H])[3H])COC(=O)CCCCCCC\C(=C(/CCCCCCCC)[3H])[3H])=O
• InChI: 1S/C57H104O6/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/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i25T,26T,27T,28T,29T,30T
• InChIKey: PHYFQTYBJUILEZ-KOIFLUSFSA-N

Properties

• Boiling point: 818.722°C at 760 mmHg (Cal.)
• Flash point: 302.721°C (Cal.)