Chem
J-GLOBAL ID：200907040786559644
Nikkaji number：J2.512.969E
3-[(2E)-1-Acetoxy-2-benzylidenecyclohexyl]propyneoic acid ethyl ester
3-[(2E)-1-アセトキシ-2-ベンジリデンシクロヘキシル]プロピン酸エチル
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： C20H22O4
Molecular formula furigana： C20-H22-O4
Molecular weight： 326.392
InChI：
InChI=1S/C20H22O4/c1-3-23-19(22)12-14-20(24-16(2)21)13-8-7-11-18(20)15-17-9-5-4-6-10-17/h4-6,9-10,15H,3,7-8,11,13H2,1-2H3/b18-15+
InChI key：
ACBUKGBXTNDPKJ-OBGWFSINSA-N
SMILES：
CCOC(=O)C#CC1(CCCC/C/1=C\c1ccccc1)OC(=O)C
Systematic name (3)：
- 3-[(2E)-1-アセトキシ-2-ベンジリデンシクロヘキシル]プロピン酸エチル
- エチル 3-[(2E)-1-(アセチルオキシ)-2-(フェニルメチリデン)シクロヘキシル]プロパ-2-イノアート
- ethyl 3-[(2E)-1-(acetyloxy)-2-(phenylmethylidene)cyclohexyl]prop-2-ynoate
- 3-[(2E)-1-Acetoxy-2-benzylidenecyclohexyl]propyneoic acid ethyl ester
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