16369-05-4 Purity
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Specification
The molecular formula is C26H44I2.
The molecular weight is 610.4 g/mol.
The IUPAC name is 1,4-bis(3,7-dimethyloctyl)-2,5-diiodobenzene.
The InChI is InChI=1S/C26H44I2/c1-19(2)9-7-11-21(5)13-15-23-17-26(28)24(18-25(23)27)16-14-22(6)12-8-10-20(3)4/h17-22H,7-16H2,1-6H3.
The InChIKey is LJNUMLPEKWLXIO-UHFFFAOYSA-N.
The canonical SMILES is CC(C)CCCC(C)CCC1=CC(=C(C=C1I)CCC(C)CCCC(C)C)I.
The CAS number is 211809-84-6.
The European Community (EC) Number is 621-532-5.
The XLogP3-AA value is 12.3.
Yes, it is a canonicalized compound.