Chem
J-GLOBAL ID:200907048289214863   Nikkaji number:J2.622.756I

2-Methyl-7-(2-methylphenyl)-1-heptene-6-yne-4,4-bis(carboxylic acid ethyl) ester

2-メチル-7-(2-メチルフェニル)-1-ヘプテン-6-イン-4,4-ビス(カルボン酸エチル)
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: C21H26O4
Molecular formula furigana: C21-H26-O4
Molecular weight: 342.435
InChI: InChI=1S/C21H26O4/c1-6-24-19(22)21(15-16(3)4,20(23)25-7-2)14-10-13-18-12-9-8-11-17(18)5/h8-9,11-12H,3,6-7,14-15H2,1-2,4-5H3
InChI key: ZVFLSXDUWLXYRV-UHFFFAOYSA-N
SMILES: CCOC(=O)C(CC#Cc1ccccc1C)(CC(=C)C)C(=O)OCC
Systematic name  (3):
  • 2-メチル-7-(2-メチルフェニル)-1-ヘプテン-6-イン-4,4-ビス(カルボン酸エチル)
  • 1,3-ジエチル 2-[3-(2-メチルフェニル)プロパ-2-イン-1-イル]-2-(2-メチルプロパ-2-エン-1-イル)プロパンジオアート
  • 1,3-diethyl 2-[3-(2-methylphenyl)prop-2-yn-1-yl]-2-(2-methylprop-2-en-1-yl)propanedioate
Other name (1):
  • 2-Methyl-7-(2-methylphenyl)-1-heptene-6-yne-4,4-bis(carboxylic acid ethyl) ester
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