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- ChemComp-6O0: (1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold -

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Basic information

EntryDatabase: PDB chemical components / ID: 6O0
NameName: (1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold

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Chemical information

Composition
Formula: C8H14AuClN2 / Number of atoms: 26 / Formula weight: 370.63 / Formal charge: 0
Others

5jvx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6O0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5JVX
History
Create componentMay 12, 2016
Other modificationMay 19, 2016
Initial releaseJul 13, 2016
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C=1N(CCCC)C(\N(C=1)C)=[Au]\Cl
CACTVS 3.385CCCCN1C=CN(C)C1=[Au]Cl
OpenEye OEToolkits 2.0.4CCCCN1C=CN(C1=[Au]Cl)C

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SMILES CANONICAL

CACTVS 3.385CCCCN1C=CN(C)C1=[Au]Cl
OpenEye OEToolkits 2.0.4CCCCN1C=CN(C1=[Au]Cl)C

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InChI

InChI 1.03InChI=1S/C8H14N2.Au.ClH/c1-3-4-5-10-7-6-9(2)8-10;;/h6-7H,3-5H2,1-2H3;;1H/q;+1;/p-1

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InChIKey

InChI 1.03VPJMTYLCIKLAAU-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 12.01(1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold
OpenEye OEToolkits 2.0.4(1-butyl-3-methyl-imidazol-2-ylidene)-chloranyl-gold

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PDB entries

Showing all 1 items

PDB-5jvx:
X-ray structure of the adduct formed in the reaction between thaumatin and a gold carbene compound

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