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Summary

Name:	[(1,2,3,4,5,6-eta)-benzoato]chlorido[(12S)-3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ido-kappa~2~N~1~,N~12~]ruthenium(1+)
Formula:	C25 H16 Cl N3 O4 Ru
Formal charge:	null
Formula weight:	558.935 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[(1,2,3,4,5,6-eta)-benzoato]chlorido[(12S)-3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ido-kappa~2~N~1~,N~12~]ruthenium(1+)

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(O)C=12[CH]3=[CH]4[CH]5=[CH]6[CH]=1[Ru]134562(Cl)[n+]2cc(C)cc3c4c(c5c(c32)n1c1ccccc51)C(=O)NC4=O
InChI	InChI	1.06	InChI=1S/C18H11N3O2.C7H6O2.ClH.Ru/c1-8-6-10-13-14(18(23)21-17(13)22)12-9-4-2-3-5-11(9)20-16(12)15(10)19-7-8;8-7(9)6-4-2-1-3-5-6;;/h2-7H,1H3,(H2,19,20,21,22,23);1-5H,(H,8,9);1H;/q;;;+3/p-2
InChIKey	InChI	1.06	LOEHCDRAMDJWEG-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru](Cl)[n+](c1)c2c46.OC(=O)C7=CC=CC=C7
SMILES	CACTVS	3.385	Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru](Cl)[n+](c1)c2c46.OC(=O)C7=CC=CC=C7
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([CH]4=[CH]7[CH]8=C9([CH]1=[CH]24)C(=O)O)Cl)C(=O)NC3=O
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([CH]4=[CH]7[CH]8=C9([CH]1=[CH]24)C(=O)O)Cl)C(=O)NC3=O

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PDB entries from 2026-09-02

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