ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

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name.synonym = 2,2,2-Trichloroacetaldehyde; Acetaldehyde, trichloro-; Anhydrous chloral; BRN 0506422; CCRIS 852; CHLORAL (SEE ALSO CHLORAL HYDRATE 302-17-0); Chloral; Chloral (IUPAC); Chloral, anhydrous, inhibited [UN2075] [Poison]; Cloralio [Italian]; EINECS 200-911-5
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '2,2,2-Trichloroacetaldehyde; Acetaldehyde, trichloro-; Anhydrous chloral; BRN 0506422; CCRIS 852; CHLORAL (SEE ALSO CHLORAL HYDRATE 302-17-0); Chloral; Chloral (IUPAC); Chloral, anhydrous, inhibited [UN2075] [Poison]; Cloralio [Italian]; EINECS 200-911-5' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

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//zinc12.docking.org/results/combination?name.synonym=2%2C2%2C2-Trichloroacetaldehyde%3B+Acetaldehyde%2C+trichloro-%3B+Anhydrous+chloral%3B+BRN+0506422%3B+CCRIS+852%3B+CHLORAL+%28SEE+ALSO+CHLORAL+HYDRATE+302-17-0%29%3B+Chloral%3B+Chloral+%28IUPAC%29%3B+Chloral%2C+anhydrous%2C+inhibited+%5BUN2075%5D+%5BPoison%5D%3B+Cloralio+%5BItalian%5D%3B+EINECS+200-911-5&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "2,2,2-Trichloroacetaldehyde; Acetaldehyde, trichloro-; Anhydrous chloral; BRN 0506422; CCRIS 852; CHLORAL (SEE ALSO CHLORAL HYDRATE 302-17-0); Chloral; Chloral (IUPAC); Chloral, anhydrous, inhibited [UN2075] [Poison]; Cloralio [Italian]; EINECS 200-911-5" }); </script>