OS1

Summary

Name:	Ruthenium octasporine
Formula:	C24 H16 Cl N6 O3 Ru
Formal charge:	0
Formula weight:	572.945 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
SMILES_CANONICAL	CACTVS	3.370	Nc1cn2\|[Ru]\|3(Cl)(\|[C-]#[O+])(NCc4ccccn\|34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78
SMILES	CACTVS	3.370	Nc1cn2\|[Ru]\|3(Cl)(\|[C-]#[O+])(NCc4ccccn\|34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O
InChI	InChI	1.03	InChI=1S/C17H10N4O2.C6H7N2.CO.ClH.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7;7-5-6-3-1-2-4-8-6;1-2;;/h1-6H,(H4,18,19,20,21,22,23);1-4,7H,5H2;;1H;/q;-1;;;+3/p-2
InChIKey	InChI	1.03	QQATVYHLKPGOMG-UHFFFAOYSA-L