Chem
J-GLOBAL ID：200907011892471977
Nikkaji number：J1.853.932B
4-[[[5-(Methylthio)-4′,5′-bis[[2-[2-[2-[[5-(methylthio)-4′,5′-bis(methylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]ethoxy]ethoxy]ethyl]thio]-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]methyl]benzoic acid
4-[[[5-(メチルチオ)-4′,5′-ビス[[2-[2-[2-[[5-(メチルチオ)-4′,5′-ビス(メチルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオ]エトキシ]エトキシ]エチル]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： C45H52O6S24
Molecular formula furigana： C45-H52-O6-S24
Molecular weight： 1458.350
InChI：
InChI=1S/C45H52O6S24/c1-52-28-29(53-2)65-40(64-28)42-68-32(56-5)35(71-42)59-20-16-48-12-14-50-18-22-61-38-39(75-45(74-38)44-70-34(58-7)37(73-44)63-24-25-8-10-26(11-9-25)27(46)47)62-23-19-51-15-13-49-17-21-60-36-33(57-6)69-43(72-36)41-66-30(54-3)31(55-4)67-41/h8-11H,12-24H2,1-7H3,(H,46,47)
InChI key：
XUGJBRWGCVXVJB-UHFFFAOYSA-N
SMILES：
CSC1=C(SC)S/C(=C/2\SC(=C(SCCOCCOCCSC3=C(SCCOCCOCCSC4=C(SC)S/C(=C/5\SC(=C(SC)S5)SC)/S4)S/C(=C/4\SC(=C(SCc5ccc(cc5)C(=O)O)S4)SC)/S3)S2)SC)/S1
Systematic name (3)：
- 4-[[[5-(メチルチオ)-4′,5′-ビス[[2-[2-[2-[[5-(メチルチオ)-4′,5′-ビス(メチルチオ)-Δ2,2′-ビ[1,3-ジチオール]-4-イル]チオ]エトキシ]エトキシ]エチル]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[(2-{2-[2-({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)エトキシ]エトキシ}エチル)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]メチル}安息香酸
- 4-{[(2-{4,5-bis[(2-{2-[2-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)ethoxy]ethoxy}ethyl)sulfanyl]-2H-1,3-dithiol-2-ylidene}-5-(methylsulfanyl)-2H-1,3-dithiol-4-yl)sulfanyl]methyl}benzoic acid
- 4-[[[5-(Methylthio)-4′,5′-bis[[2-[2-[2-[[5-(methylthio)-4′,5′-bis(methylthio)-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]ethoxy]ethoxy]ethyl]thio]-Δ2,2′-bi[1,3-dithiol]-4-yl]thio]methyl]benzoic acid
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