Chem
J-GLOBAL ID：200907000175767851
Nikkaji number：J2.649.896A
1,1′-(2,2′-Bithiophene-3,3′-diyl)-3,3′,5,5′-tetra-tert-butyl-1,1′-bi[2,5-cyclohexadiene]-4,4′-dione
1,1′-(2,2′-ビチオフェン-3,3′-ジイル)-3,3′,5,5′-テトラ-tert-ブチル-1,1′-ビ[2,5-シクロヘキサジエン]-4,4′-ジオン
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： C36H44O2S2
Molecular formula furigana： C36-H44-O2-S2
Molecular weight： 572.870
InChI：
InChI=1S/C36H44O2S2/c1-31(2,3)23-17-35(18-24(27(23)37)32(4,5)6)21-13-15-39-29(21)30-22(14-16-40-30)36(35)19-25(33(7,8)9)28(38)26(20-36)34(10,11)12/h13-20H,1-12H3
InChI key：
SRFFGWJRQMLIRG-UHFFFAOYSA-N
SMILES：
CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)c1ccsc1c1sccc1C12C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Systematic name (1)：
- 1,1′-(2,2′-ビチオフェン-3,3′-ジイル)-3,3′,5,5′-テトラ-tert-ブチル-1,1′-ビ[2,5-シクロヘキサジエン]-4,4′-ジオン
- 1,1′-(2,2′-Bithiophene-3,3′-diyl)-3,3′,5,5′-tetra-tert-butyl-1,1′-bi[2,5-cyclohexadiene]-4,4′-dione
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