71397-33-6 Purity
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Specification
The molecular formula is C42H36O8P2Ru +2.
The synonyms include DIACETATO[(R)-(+)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE]RUTHENIUM(II) and [4-(5-diphenylphosphaniumyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphanium;ruthenium(2+);diacetate.
It was created on 2019-05-08 and modified on 2023-12-30.
The IUPAC name is [4-(5-diphenylphosphaniumyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphanium;ruthenium(2+);diacetate.
The Canonical SMILES is CC(=O)[O-].CC(=O)[O-].C1OC2=C(O1)C(=C(C=C2)[PH+](C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)[PH+](C7=CC=CC=C7)C8=CC=CC=C8.[Ru+2].
The molecular weight is 831.7 g/mol.
It has 8 hydrogen bond acceptor counts.
The topological polar surface area is 117 Ų.
There are 53 heavy atoms present.
Yes, the compound is canonicalized.