2-butyloctanedioic acid (Q82947332)

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chemical compound

Octanedioic acid, 2-butyl-

Language	Label	Description	Also known as
English	2-butyloctanedioic acid	chemical compound	Octanedioic acid, 2-butyl-

Statements

type of chemical entity

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chemical compound

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230.151809184 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₂H₂₂O₄

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCC(CCCCCC(=O)O)C(=O)O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C12H22O4/c1-2-3-7-10(12(15)16)8-5-4-6-9-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)

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OWCLRJQYKBAMOL-UHFFFAOYSA-N

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CAS Registry Number

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CAS Common Chemistry

4 April 2021

https://commonchemistry.cas.org/detail?cas_rn=50905-10-7

OWCLRJQYKBAMOL-UHFFFAOYSA-N

reason for deprecated rank

withdrawn identifier value

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matched by identifier from

OWCLRJQYKBAMOL-UHFFFAOYSA-N

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DSSTox substance ID

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matched by identifier from

OWCLRJQYKBAMOL-UHFFFAOYSA-N

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matched by identifier from

OWCLRJQYKBAMOL-UHFFFAOYSA-N

DSSTOX compound identifier

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431-210-4

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ECHA Substance Infocard ID

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Sitelinks

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