98-00-9 Purity
96%
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Specification
The molecular formula is C80H96O8.
It was created on July 19, 2005.
The IUPAC name is 5,11,17,23,29,35,41,47-octa(propan-2-yl)nonacyclo[43.3.1.1 3,7 .1 9,13 .1 15,19 .1 21,25 .1 27,31 .1 33,37 .1 39,43 ]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol.
The molecular weight is 1185.6 g/mol.
The Canonical SMILES is CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)C)CC8=C(C(=CC(=C8)C(C)C)CC9=C(C(=CC(=C9)C(C)C)C2)O)O)O)C(C)C)C(C)C)C(C)C)O.
The XLogP3-AA value is 21.5.
It has 8 Hydrogen Bond Donor Count.
The Topological Polar Surface Area is 162 Ų.
Yes, it has 1 Covalently-Bonded Unit Count.
Yes, the Compound Is Canonicalized.
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