Chem
J-GLOBAL ID：200907091139627763
Nikkaji number：J1.853.930F
4-[[5-(Methylthio)-4′,5′-bis(hexylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thiomethyl]benzoic acid
4-[[5-(メチルチオ)-4′,5′-ビス(ヘキシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオメチル]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： C27H36O2S8
Molecular formula furigana： C27-H36-O2-S8
Molecular weight： 649.060
InChI：
InChI=1S/C27H36O2S8/c1-4-6-8-10-16-31-24-25(32-17-11-9-7-5-2)37-27(36-24)26-34-22(30-3)23(35-26)33-18-19-12-14-20(15-13-19)21(28)29/h12-15H,4-11,16-18H2,1-3H3,(H,28,29)
InChI key：
ZHGIIUHSEJLSQP-UHFFFAOYSA-N
SMILES：
CCCCCCSC1=C(SCCCCCC)S/C(=C/2\SC(=C(SCc3ccc(cc3)C(=O)O)S2)SC)/S1
Systematic name (3)：
- 4-[[5-(メチルチオ)-4′,5′-ビス(ヘキシルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオメチル]安息香酸
- 4-[({2-[4,5-ビス(ヘキシルスルファニル)-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)メチル]安息香酸
- 4-[({2-[4,5-bis(hexylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)methyl]benzoic acid
- 4-[[5-(Methylthio)-4′,5′-bis(hexylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thiomethyl]benzoic acid
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