9,10,12,13-tetrabromooctadecanoic acid (Q82915674)

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chemical compound

• 9,10,12,13-tetrabromostearic acid

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Language	Label	Description	Also known as
English	9,10,12,13-tetrabromooctadecanoic acid	chemical compound	9,10,12,13-tetrabromostearic acid

Statements

instance of

type of chemical entity

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subclass of

halogenated fatty acids

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chemical structure

TetrabromostearicAcid.svg
536 × 254; 10 KB

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mass

595.913578664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₃₂Br₄O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)

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InChIKey

HTORNZPNCYXGMR-UHFFFAOYSA-N

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CAS Registry Number

1794-89-4

1 reference

InChIKey

HTORNZPNCYXGMR-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=1794-89-4

ChemSpider ID

89368

1 reference

imported from Wikimedia project

German Wikipedia

Wikimedia import URL

https://de.wikipedia.org/w/index.php?title=Tetrabromstearinsäure&oldid=243401323

PubChem CID

98942

1 reference

matched by identifier from

InChIKey

InChIKey

HTORNZPNCYXGMR-UHFFFAOYSA-N

ChEBI ID

165395

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)

UniChem compound ID

24616458

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID50939215

1 reference

matched by identifier from

InChIKey

InChIKey

HTORNZPNCYXGMR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID701367721

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NSC number

148709

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LIPID MAPS ID

LMFA01090085

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

 

Sitelinks

Wikipedia(1 entry)

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• dewiki Tetrabromstearinsäure

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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