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- ChemComp-O1N: dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmi... -

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Basic information

EntryDatabase: PDB chemical components / ID: O1N
NameName: dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii)

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Chemical information

Composition
Formula: C19H20Cl2N2Os / Number of atoms: 44 / Formula weight: 537.511 / Formal charge: 0
Others

6pla

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: O1N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PLA
History
Create componentJul 3, 2019
Other modificationJul 3, 2019
Modify nameJul 3, 2019
Initial releaseNov 25, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)[C]12CC[C](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C
OpenEye OEToolkits 2.0.7CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl

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SMILES CANONICAL

CACTVS 3.385CC(C)[C@@]12CC[C@@](C)(CC1)[Os]2(Cl)(Cl)c3n(C)c4ccccc4[n]3C
OpenEye OEToolkits 2.0.7CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl

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InChI

InChI 1.03InChI=1S/C10H14.C9H10N2.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h4-8H,1-3H3;3-6H,1-2H3;2*1H;/q;;;;+2/p-2

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InChIKey

InChI 1.03HTBSTFDYMNQUHX-UHFFFAOYSA-L

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PDB entries

Showing all 1 items

PDB-6pla:
Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) with HEWL

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