(1,5-Cyclooctadiene)tris(trimethylphosphine)iridium(1+) chloride

Catalog Number	ACM118494487
CAS	118494-48-7
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;iridium;trimethylphosphane;chloride
Molecular Weight	564.08
Molecular Formula	C17H39ClIrP3
Canonical SMILES	CP(C)C.CP(C)C.CP(C)C.C1CC=CCCC=C1.[Cl-].[Ir]
InChI	InChI=1S/C8H12.3C3H9P.ClH.Ir/c1-2-4-6-8-7-5-3-1;3*1-4(2)3;/h1-2,7-8H,3-6H2;3*1-3H3;1H;/p-1/b2-1-,8-7-;
InChI Key	ODUMXGNMXMLLHF-XRGHXPOKSA-M
Purity	97%
Complexity	80.6
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	564.15824
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CP(C)C.CP(C)C.CP(C)C.C1/C=C\CC/C=C\C1.[Cl-].[Ir]
Monoisotopic Mass	564.15824
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų