Chem
J-GLOBAL ID:200907027803889525   Nikkaji number:J2.055.295F

2-[(E)-β-Hydroxyphenethylidene]-3-octynoic acid methyl ester

2-[(E)-β-ヒドロキシフェネチリデン]-3-オクチン酸メチル
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: C17H20O3
Molecular formula furigana: C17-H20-O3
Molecular weight: 272.344
InChI: InChI=1S/C17H20O3/c1-3-4-5-7-12-15(17(19)20-2)13-16(18)14-10-8-6-9-11-14/h6,8-11,13,16,18H,3-5H2,1-2H3/b15-13+
InChI key: VPAWDTVEVQRNTI-FYWRMAATSA-N
SMILES: CCCCC#C/C(=C\C(O)c1ccccc1)/C(=O)OC
Systematic name  (3):
  • 2-[(E)-β-ヒドロキシフェネチリデン]-3-オクチン酸メチル
  • メチル (2E)-2-(2-ヒドロキシ-2-フェニルエチリデン)オクタ-3-イノアート
  • methyl (2E)-2-(2-hydroxy-2-phenylethylidene)oct-3-ynoate
Other name (1):
  • 2-[(E)-β-Hydroxyphenethylidene]-3-octynoic acid methyl ester
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