Chemical Components in the PDB

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RBN : Summary

Code

RBN

One-letter code

X

Molecule name

Benzeneruthenium(II) chloride

Systematic names

ProgramVersionName
ACDLabs 12.01 (eta~6~-benzene)(dichloro)ruthenium

Formula

C6 H6 Cl2 Ru

Formal charge

0

Molecular weight

250.088 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cl[Ru]65432(Cl)C=1C6=C5C4=C3C=12
SMILES CACTVS 3.370 Cl[Ru]|1|2|3|4|5(Cl)|C6=C|1C|2=C|3C|4=C|56
SMILES OpenEye OEToolkits 1.7.6 [CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl
Canonical SMILES CACTVS 3.370 Cl[Ru]|1|2|3|4|5(Cl)|C6=C|1C|2=C|3C|4=C|56
Canonical SMILES OpenEye OEToolkits 1.7.6 [CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl

IUPAC InChI

InChI=1S/C6H6.2ClH.Ru/c1-2-4-6-5-3-1;;;/h1-6H;2*1H;/q;;;+2/p-2

IUPAC InChI key

NDWWOISDNSYBCH-UHFFFAOYSA-L
RBN

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-19

Last modified at

2014-02-14

Status

Released

Obsoleted

Not Assigned