Chem
J-GLOBAL ID:200907071653559571
Nikkaji number:J729.435B
4-(tert-Butylperoxy)-6-(1-hexynyl)-2,4-di-tert-butyl-2,5-cyclohexadien-1-one
4-(tert-ブチルペルオキシ)-6-(1-ヘキシニル)-2,4-ジ-tert-ブチル-2,5-シクロヘキサジエン-1-オン
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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:
C24 H38 O3
Molecular formula furigana:
C24-H38-O3
Molecular weight:
374.565
InChI:
InChI=1S/C24H38O3/c1-11-12-13-14-15-18-16-24(22(5,6)7,27-26-23(8,9)10)17-19(20(18)25)21(2,3)4/h16-17H,11-13H2,1-10H3
InChI key:
WWZIBKUMURFLMU-UHFFFAOYSA-N
SMILES:
CCCCC#CC1=CC(OOC(C)(C)C)(C=C(C1=O)C(C)(C)C)C(C)(C)C
Systematic name (3):
4-(tert-ブチルペルオキシ)-6-(1-ヘキシニル)-2,4-ジ-tert-ブチル-2,5-シクロヘキサジエン-1-オン
2,4-ジ-tert-ブチル-4-(tert-ブチルペルオキシ)-6-(ヘキサ-1-イン-1-イル)シクロヘキサ-2,5-ジエン-1-オン
2,4-di-tert-butyl-4-(tert-butylperoxy)-6-(hex-1-yn-1-yl)cyclohexa-2,5-dien-1-one
Other name (1):
4-(tert-Butylperoxy)-6-(1-hexynyl)-2,4-di-tert-butyl-2,5-cyclohexadien-1-one
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