Chem
J-GLOBAL ID：200907006020699165
Nikkaji number：J813.136H
3-(1,3-Dodecadiyn-1-yl)benzoic acid
3-(1,3-ドデカジイン-1-イル)安息香酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C19H22O2
Molecular formula furigana： C19-H22-O2
Molecular weight： 282.383
InChI：
InChI=1S/C19H22O2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)19(20)21/h12,14-16H,2-8H2,1H3,(H,20,21)
InChI key：
XWFNJAKOIGKFPQ-UHFFFAOYSA-N
SMILES：
CCCCCCCCC#CC#Cc1cccc(c1)C(=O)O
Systematic name (3)：
- 3-(1,3-ドデカジイン-1-イル)安息香酸
- 3-(ドデカ-1,3-ジイン-1-イル)安息香酸
- 3-(dodeca-1,3-diyn-1-yl)benzoic acid
- 3-(1,3-Dodecadiyn-1-yl)benzoic acid
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