Chem
J-GLOBAL ID:200907024899715558   Nikkaji number:J1.790.231H

2,2′-[(2,5-Thiophenediyl)bis[1-[(triisopropylsilyl)ethynyl]-2-propyne-3-yl-1-ylidene]]bis(1,3-dithiol-4,5-dicarboxylic acid dimethyl) ester

2,2′-[(2,5-チオフェンジイル)ビス[1-[(トリイソプロピルシリル)エチニル]-2-プロピン-3-イル-1-イリデン]]ビス(1,3-ジチオール-4,5-ジカルボン酸ジメチル)
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: C46H56O8S5Si2
Molecular formula furigana: C46-H56-O8-S5-SI2
Molecular weight: 953.420
InChI: InChI=1S/C46H56O8S5Si2/c1-27(2)60(28(3)4,29(5)6)25-23-33(45-56-37(41(47)51-13)38(57-45)42(48)52-14)17-19-35-21-22-36(55-35)20-18-34(24-26-61(30(7)8,31(9)10)32(11)12)46-58-39(43(49)53-15)40(59-46)44(50)54-16/h21-22,27-32H,1-16H3
InChI key: ATQSQMWLBXAQSK-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(S/C(=C(\C#Cc2ccc(s2)C#C/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C#C[Si](C(C)C)(C(C)C)C(C)C)/C#C[Si](C(C)C)(C(C)C)C(C)C)/S1)C(=O)OC
Systematic name  (3):
  • 2,2′-[(2,5-チオフェンジイル)ビス[1-[(トリイソプロピルシリル)エチニル]-2-プロピン-3-イル-1-イリデン]]ビス(1,3-ジチオール-4,5-ジカルボン酸ジメチル)
  • 4,5-ジメチル 2-[1-(5-{3-[4,5-ビス(メトキシカルボニル)-2H-1,3-ジチオール-2-イリデン]-5-[トリス(プロパン-2-イル)シリル]ペンタ-1,4-ジイン-1-イル}チオフェン-2-イル)-5-[トリス(プロパン-2-イル)シリル]ペンタ-1,4-ジイン-3-イリデン]-2H-1,3-ジチオール-4,5-ジカルボキシラート
  • 4,5-dimethyl 2-[1-(5-{3-[4,5-bis(methoxycarbonyl)-2H-1,3-dithiol-2-ylidene]-5-[tris(propan-2-yl)silyl]penta-1,4-diyn-1-yl}thiophen-2-yl)-5-[tris(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Other name (1):
  • 2,2′-[(2,5-Thiophenediyl)bis[1-[(triisopropylsilyl)ethynyl]-2-propyne-3-yl-1-ylidene]]bis(1,3-dithiol-4,5-dicarboxylic acid dimethyl) ester
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