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- ChemComp-HG6: 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HG6
NameName: 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

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Chemical information

Composition
Formula: C15H7ClO4 / Number of atoms: 27 / Formula weight: 286.667 / Formal charge: 0
Others

7dt3

Type: non-polymer / PDB classification: HETAIN / Three letter code: HG6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DT3
History
Create componentJan 8, 2021
Initial releaseOct 13, 2021
External linksUniChem / ChemSpider / ChEMBL / 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

CACTVS 3.385OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O

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InChI

InChI 1.03InChI=1S/C15H7ClO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)

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InChIKey

InChI 1.03WRJVLGUSGCVLDE-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7dt3:
Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

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