Chem
J-GLOBAL ID：200907097315837530
Nikkaji number：J1.853.928D
4-[4-[[4′,5,5′-Tris(methylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]butoxy]benzoic acid
4-[4-[[4′,5,5′-トリス(メチルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオ]ブトキシ]安息香酸
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： C20H22O3S8
Molecular formula furigana： C20-H22-O3-S8
Molecular weight： 566.870
InChI：
InChI=1S/C20H22O3S8/c1-24-15-16(25-2)29-19(28-15)20-30-17(26-3)18(31-20)27-11-5-4-10-23-13-8-6-12(7-9-13)14(21)22/h6-9H,4-5,10-11H2,1-3H3,(H,21,22)
InChI key：
YOTOEHKVTZQLQZ-UHFFFAOYSA-N
SMILES：
CSC1=C(SC)S/C(=C/2\SC(=C(SCCCCOc3ccc(cc3)C(=O)O)S2)SC)/S1
Systematic name (3)：
- 4-[4-[[4′,5,5′-トリス(メチルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオ]ブトキシ]安息香酸
- 4-[4-({2-[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]-5-(メチルスルファニル)-2H-1,3-ジチオール-4-イル}スルファニル)ブトキシ]安息香酸
- 4-[4-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)butoxy]benzoic acid
- 4-[4-[[4′,5,5′-Tris(methylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]butoxy]benzoic acid
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