KHN

Summary

Name:	Ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine)
Formula:	C42 H26 N9 O2 Ru
Formal charge:	0
Formula weight:	789.785 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/C18H10N5O2.2C12H8N2.Ru/c24-23(25)13-7-1-6-12-18(13)22-17-11-5-3-9-20-15(11)14-10(16(17)21-12)4-2-8-19-14;21-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-9,24H;21-8H;
InChIKey	InChI	1.03	RRLMHIVRUDSXHL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Ru].[OH-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11
SMILES	CACTVS	3.385	[Ru].[OH-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12