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- ChemComp-CAC: CACODYLATE ION -

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Basic information

EntryDatabase: PDB chemical components / ID: CAC
NameName: cacodylate ion / Synonyms: dimethylarsinate

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Chemical information

Composition
Formula: C2H6AsO2 / Number of atoms: 11 / Formula weight: 136.989 / Formal charge: -1
Others

1qqj

Type: NON-POLYMER / PDB classification: HETAI / Three letter code: CAC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QQJ
History
Create componentJul 8, 1999
Modify leaving atom flagNov 17, 2010
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / CompTox / Metabolights / Nikkaji / PubChem / Rhea / 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 12.01[O-][As](=O)(C)C
CACTVS 3.370C[As](C)([O-])=O
OpenEye OEToolkits 1.7.0C[As](=O)(C)[O-]

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SMILES CANONICAL

CACTVS 3.370C[As](C)([O-])=O
OpenEye OEToolkits 1.7.0C[As](=O)(C)[O-]

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InChI

InChI 1.03InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1

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InChIKey

InChI 1.03OGGXGZAMXPVRFZ-UHFFFAOYSA-M

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SYSTEMATIC NAME

ACDLabs 12.01dimethylarsinate
OpenEye OEToolkits 1.7.0dimethylarsinate

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