A1JKO

Summary

Name:	Ruthenium[II]-benzene-phosphaadamantane
Formula:	C12 H18 N3 P Ru
Formal charge:	null
Formula weight:	336.335 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	1.06	InChI=1S/C6H12N3P.C6H6.Ru/c1-7-2-9-3-8(1)5-10(4-7)6-9;1-2-4-6-5-3-1;/h1-6H2;1-6H;/q;;-1/p+1
InChIKey	InChI	1.06	IDTLIGTZEVFYSG-UHFFFAOYSA-O
SMILES_CANONICAL	CACTVS	3.385	C1N2CN3CN1CP(C2)C3.[Ru]4[C@@H]=5=CC=CC=[C@@H]4=5
SMILES	CACTVS	3.385	C1N2CN3CN1CP(C2)C3.[Ru]4[CH]=5=CC=CC=[CH]4=5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C1N2CN3CN1C[P](C2)(C3)[Ru]45678[CH]=9=[CH]4=[CH]5[CH]6=[CH]7[CH]98
SMILES	OpenEye OEToolkits	3.1.0.0	C1N2CN3CN1C[P](C2)(C3)[Ru]45678[CH]=9=[CH]4=[CH]5[CH]6=[CH]7[CH]98