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- ChemComp-MBO: MERCURIBENZOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: MBO
NameName: mercuribenzoic acid

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Chemical information

Composition
Formula: C7H5HgO2 / Number of atoms: 15 / Formula weight: 321.703 / Formal charge: 0
Others

1dr6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MBO / Model coordinates PDB-ID: 1DR6
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / DrugBank / Nikkaji / PubChem / SureChEMBL / 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 10.04[Hg]c1ccc(C(=O)O)cc1
CACTVS 3.341OC(=O)c1ccc([Hg])cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)[Hg]

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SMILES CANONICAL

CACTVS 3.341OC(=O)c1ccc([Hg])cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)[Hg]

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InChI

InChI 1.03InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);

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InChIKey

InChI 1.03FVFZSVRSDNUCGG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(4-carboxyphenyl)mercury
OpenEye OEToolkits 1.5.0(4-carboxyphenyl)mercury

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