Chem
J-GLOBAL ID：200907045957179740   Nikkaji number：J2.157.032J

Benzoic acid (E)-1-methyl-7-octyne-5-enyl ester

安息香酸(E)-1-メチル-7-オクチン-5-エニル
Substance type：
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
Molecular formula： C16H18O2
Molecular formula furigana： C16-H18-O2
Molecular weight： 242.318
InChI： InChI=1S/C16H18O2/c1-3-4-5-6-8-11-14(2)18-16(17)15-12-9-7-10-13-15/h1,4-5,7,9-10,12-14H,6,8,11H2,2H3/b5-4+
InChI key： CAELAGFLFJDMNP-SNAWJCMRSA-N
SMILES： CC(CCC/C=C/C#C)OC(=O)c1ccccc1
Systematic name  (3)：
  • 安息香酸(E)-1-メチル-7-オクチン-5-エニル
  • (6E)-ノナ-6-エン-8-イン-2-イル ベンゾアート
  • (6E)-non-6-en-8-yn-2-yl benzoate
Other name (1)：
  • Benzoic acid (E)-1-methyl-7-octyne-5-enyl ester
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