D0X

Summary

Name:	[Ru(eta(6)-p-cymene)Cl-2(pta)
Formula:	C16 H22 Cl2 N3 P Ru
Formal charge:	0
Formula weight:	459.316 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C10H10.C6H12N3P.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h8H,1-3H3;1-6H2;2*1H;/q;;;;+1/p-1
InChIKey	InChI	1.03	HCFRVYRXZWDWIV-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	CC(C)C1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
SMILES	CACTVS	3.385	CC(C)C1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl