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(η5-Cyclopentadienyl)methylbis(triphenylphosphine)ruthenium

Catalog Number ACM34692096
CAS 34692-09-6
Synonyms Carbanide;cyclopenta-1,3-diene;ruthenium(6+);triphenylphosphanium
Molecular Weight 703.7
Molecular Formula C42H36P2Ru
Canonical SMILES [CH3-].[CH-]1[C-]=[C-][C-]=[C-]1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ru+6]
InChI InChI=1S/2C18H15P.C5H.CH3.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;/h2*1-15H;1H;1H3;/q;-5;-1;+6/p+2
InChI Key VESUETVHPSTYBS-UHFFFAOYSA-P
Purity 98%
Complexity 608
Covalently-Bonded Unit Count 5
Defined Atom Stereocenter Count 0
Exact Mass 704.133565
Heavy Atom Count 45
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Monoisotopic Mass 704.133565
Rotatable Bond Count 6
Topological Polar Surface Area 0 Ų

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