Chem
J-GLOBAL ID：201207092657960257   Nikkaji number：J3.048.155K

Disulfuric acid bis[(2,4,6-triisopropylphenyl)(1,1′:3′,1′′-terbenzene-2′-yl) ammonium] salt

二硫酸ビス[(2,4,6-トリイソプロピルフェニル)(1,1′:3′,1′′-テルベンゼン-2′-イル)アンモニウム]
Substance type：
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
Molecular formula： C66H76[N+]2O7S2
Molecular formula furigana： C66-H76-N2-O7-S2
Molecular weight： 1073.460
InChI： InChI=1S/C66H72N2O7S2/c1-43(2)53-39-59(45(5)6)65(60(40-53)46(7)8)67(63-55(49-27-17-13-18-28-49)35-25-36-56(63)50-29-19-14-20-30-50)73-76(69,70)75-77(71,72)74-68(66-61(47(9)10)41-54(44(3)4)42-62(66)48(11)12)64-57(51-31-21-15-22-32-51)37-26-38-58(64)52-33-23-16-24-34-52/h13-48H,1-12H3/q+2
InChI key： XJAVGGAYUJQNRG-UHFFFAOYSA-N
SMILES： CC(C)c1cc(C(C)C)c([N+](OS(=O)(=O)OS(=O)(=O)O[N+](c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cccc2c2ccccc2)c2ccccc2)c2c(cccc2c2ccccc2)c2ccccc2)c(c1)C(C)C
Systematic name  (3)：
  • 二硫酸ビス[(2,4,6-トリイソプロピルフェニル)(1,1′:3′,1′′-テルベンゼン-2′-イル)アンモニウム]
  • 3-フェニル-N-{[({[({3-フェニル-[1,1'-ビフェニル]-2-イル}[2,4,6-トリス(プロパン-2-イル)フェニル]アザニウミル)オキシ]スルホニル}オキシ)スルホニル]オキシ}-N-[2,4,6-トリス(プロパン-2-イル)フェニル]-[1,1'-ビフェニル]-2-アミニウム
  • 3-phenyl-N-{[({[({3-phenyl-[1,1'-biphenyl]-2-yl}[2,4,6-tris(propan-2-yl)phenyl]azaniumyl)oxy]sulfonyl}oxy)sulfonyl]oxy}-N-[2,4,6-tris(propan-2-yl)phenyl]-[1,1'-biphenyl]-2-aminium
Other name (1)：
  • Disulfuric acid bis[(2,4,6-triisopropylphenyl)(1,1′:3′,1′′-terbenzene-2′-yl) ammonium] salt
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