Chem
J-GLOBAL ID：200907056748650879
Nikkaji number：J1.853.931D
2-[4-[[5-(Methylthio)-4′,5′-bis(pentylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]butoxy]benzoic acid
2-[4-[[5-(メチルチオ)-4′,5′-ビス(ペンチルチオ)-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： C28H38O3S8
Molecular formula furigana： C28-H38-O3-S8
Molecular weight： 679.090
InChI：
InChI=1S/C28H38O3S8/c1-4-6-11-17-34-25-26(35-18-12-7-5-2)39-28(38-25)27-36-23(32-3)24(37-27)33-19-13-10-16-31-21-15-9-8-14-20(21)22(29)30/h8-9,14-15H,4-7,10-13,16-19H2,1-3H3,(H,29,30)
InChI key：
KJRZKQBWCNIQCL-UHFFFAOYSA-N
SMILES：
CCCCCSC1=C(SCCCCC)S/C(=C/2\SC(=C(SCCCCOc3ccccc3C(=O)O)S2)SC)/S1
Systematic name (3)：
- 2-[4-[[5-(メチルチオ)-4′,5′-ビス(ペンチルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオ]ブトキシ]安息香酸
- 2-[4-({2-[4,5-ビス(ペンチルスルファニル)-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
- 2-[4-({2-[4,5-bis(pentylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)butoxy]benzoic acid
- 2-[4-[[5-(Methylthio)-4′,5′-bis(pentylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]butoxy]benzoic acid
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