Chem
J-GLOBAL ID：200907043287159030
Nikkaji number：J1.371.219K
3,5-Di-tert-butyl-4-thioxo-2,5-cyclohexadiene-1-one
3,5-ジ-tert-ブチル-4-チオキソ-2,5-シクロヘキサジエン-1-オン
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： C14H20OS
Molecular formula furigana： C14-H20-O-S
Molecular weight： 236.370
InChI：
InChI=1S/C14H20OS/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChI key：
UTAGXYHTUMORNJ-UHFFFAOYSA-N
SMILES：
CC(C)(C)C1=CC(=O)C=C(C1=S)C(C)(C)C
Systematic name (3)：
- 3,5-ジ-tert-ブチル-4-チオキソ-2,5-シクロヘキサジエン-1-オン
- 3,5-ジ-tert-ブチル-4-スルファニリデンシクロヘキサ-2,5-ジエン-1-オン
- 3,5-di-tert-butyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
- 3,5-Di-tert-butyl-4-thioxo-2,5-cyclohexadiene-1-one
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