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- ChemComp-JYF: (~{Z})-1,2-bis(chloranyl)ethene -

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Basic information

EntryDatabase: PDB chemical components / ID: JYF
NameName: (~{Z})-1,2-bis(chloranyl)ethene

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Chemical information

Composition
Formula: C2H2Cl2 / Number of atoms: 6 / Formula weight: 96.943 / Formal charge: 0
Others

8q4h

Type: non-polymer / PDB classification: HETAIN / Three letter code: JYF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8Q4H
History
Create componentAug 10, 2023
Initial releaseOct 18, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.385ClC=CCl
OpenEye OEToolkits 2.0.7C(=CCl)Cl

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SMILES CANONICAL

CACTVS 3.385Cl\C=C/Cl
OpenEye OEToolkits 2.0.7C(=C\Cl)\Cl

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InChI

InChI 1.06InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-

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InChIKey

InChI 1.06KFUSEUYYWQURPO-UPHRSURJSA-N

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PDB entries

Showing all 1 items

PDB-8q4h:
a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex

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