6-[4,6-Bis(4-Octoxy-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-1,3,5-Triazinan-2-Ylidene]-3-Octoxycyclohexa-2,4-Dien-1-One
[CAS# 13681-75-9]

Identification

• Name: 6-[4,6-Bis(4-Octoxy-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-1,3,5-Triazinan-2-Ylidene]-3-Octoxycyclohexa-2,4-Dien-1-One
• Synonyms: 6-[4,6-Bis(4-Octoxy-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-1,3,5-Triazinan-2-Ylidene]-3-Octoxy-Cyclohexa-2,4-Dien-1-One; 6-[4,6-Bis(4-Octoxy-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-1,3,5-Triazinan-2-Ylidene]-3-Octoxy-1-Cyclohexa-2,4-Dienone; 6-[4,6-Bis(6-Keto-4-Octoxy-1-Cyclohexa-2,4-Dienylidene)-1,3,5-Triazinan-2-Ylidene]-3-Octoxy-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₄₅H₆₃N₃O₆
• Molecular Weight: 742.01
• CAS Registry Number: 13681-75-9
• SMILES: C(CCCC)CCCOC4=CC(=O)/C(=C1/N/C(NC(/N1)=C2\C(=O)C=C(OCCCCCCCC)C=C2)=C3\C(=O)C=C(OCCCCCCCC)C=C3)C=C4
• InChI: 1S/C45H63N3O6/c1-4-7-10-13-16-19-28-52-34-22-25-37(40(49)31-34)43-46-44(38-26-23-35(32-41(38)50)53-29-20-17-14-11-8-5-2)48-45(47-43)39-27-24-36(33-42(39)51)54-30-21-18-15-12-9-6-3/h22-27,31-33,46-48H,4-21,28-30H2,1-3H3/b43-37-,44-38+,45-39-
• InChIKey: CGLBUBFYYYOMDH-OCTXCNDESA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 858.497°C at 760 mmHg (Cal.)
• Flash point: 473.002°C (Cal.)