2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene
Catalog Number
ACM70351870
CAS
70351-87-0
IUPAC Name
2,3,6,7,10,11-hexaoctoxytriphenylene
Molecular Weight
997.58
Molecular Formula
C66H108O6
Product Information
Canonical SMILES
CCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC
Inchi
InChI=1S/C66H108O6/c1-7-13-19-25-31-37-43-67-61-49-55-56(50-62(61)68-44-38-32-26-20-14-8-2)58-52-64(70-46-40-34-28-22-16-10-4)66(72-48-42-36-30-24-18-12-6)54-60(58)59-53-65(71-47-41-35-29-23-17-11-5)63(51-57(55)59)69-45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3
InChIKey
IUFDADHEWRYRSP-UHFFFAOYSA-N
Purity
>98.0%(HPLC)
Appearance
White to Yellow to Green powder to crystal
Complexity
966
Heavy Atom Count
72
MDL Number
MFCD20528916
Reaxys Registry Number
2320891
Rotatable Bond Count
48
Monoisotopic Mass
996.814591g/mol
Exact Mass
996.814591g/mol
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation