Chem
J-GLOBAL ID：200907004163800271
Nikkaji number：J2.628.006K
2,2′,2,2′-[(3,4-Dimethoxythiophene-2,5-diyl)bismethylidyne]bis[5-[[3,4-dimethoxy-5-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methyl]-2-thienyl]methylene]-1,3-dithiolo[4,5-d][1,3]dithiol]
2,2′,2,2′-[(3,4-ジメトキシチオフェン-2,5-ジイル)ビスメチリジン]ビス[5-[[3,4-ジメトキシ-5-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチル]-2-チエニル]メチレン]-1,3-ジチオロ[4,5-d][1,3]ジチオール]
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： C42H36O6S19
Molecular formula furigana： C42-H36-O6-S19
Molecular weight： 1245.880
InChI：
InChI=1S/C42H36O6S19/c1-43-29-17(11-23-56-35(49-7)36(50-8)57-23)53-19(31(29)45-3)13-25-60-39-40(61-25)65-27(64-39)15-21-33(47-5)34(48-6)22(55-21)16-28-66-41-42(67-28)63-26(62-41)14-20-32(46-4)30(44-2)18(54-20)12-24-58-37(51-9)38(52-10)59-24/h11-16H,1-10H3/b25-13-,26-14-,27-15-,28-16+
InChI key：
SZWDGKMZGFXXOC-XJURMYQVSA-N
SMILES：
COc1c(OC)c(/C=C\2/SC3=C(S2)S/C(=C\c2sc(/C=C/4\SC5=C(S/C(=C\c6sc(/C=C\7/SC(=C(SC)S7)SC)c(OC)c6OC)/S5)S4)c(OC)c2OC)/S3)sc1/C=C\1/SC(=C(SC)S1)SC
Systematic name (3)：
- 2,2′,2,2′-[(3,4-ジメトキシチオフェン-2,5-ジイル)ビスメチリジン]ビス[5-[[3,4-ジメトキシ-5-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチル]-2-チエニル]メチレン]-1,3-ジチオロ[4,5-d][1,3]ジチオール]
- 2-[(5-{[(5E)-5-[(5-{[(2Z)-5-[(5-{[4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール-2-イリデン]メチル}-3,4-ジメトキシチオフェン-2-イル)メチリデン]-2H,5H-[1,3]ジチオロ[4,5-d][1,3]ジチオール-2-イリデン]メチル}-3,4-ジメトキシチオフェン-2-イル)メチリデン]-2H,5H-[1,3]ジチオロ[4,5-d][1,3]ジチオール-2-イリデン]メチル}-3,4-ジメトキシチオフェン-2-イル)メチリデン]-4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール
- 2-[(5-{[(5E)-5-[(5-{[(2Z)-5-[(5-{[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]methyl}-3,4-dimethoxythiophen-2-yl)methylidene]-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]methyl}-3,4-dimethoxythiophen-2-yl)methylidene]-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]methyl}-3,4-dimethoxythiophen-2-yl)methylidene]-4,5-bis(methylsulfanyl)-2H-1,3-dithiole
- 2,2′,2,2′-[(3,4-Dimethoxythiophene-2,5-diyl)bismethylidyne]bis[5-[[3,4-dimethoxy-5-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methyl]-2-thienyl]methylene]-1,3-dithiolo[4,5-d][1,3]dithiol]
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