Chem
J-GLOBAL ID：201507015409487357   Nikkaji number：J3.449.402I

3,3′-[[(1R)-Cyclohexane-1β,2α-diyl]bis[nitrilomethylidyne(6-hydroxy-m-phenylene)methylene]]bis(2-methyl-1H-imidazole-3-ium)

3,3′-[[(1R)-シクロヘキサン-1β,2α-ジイル]ビス[ニトリロメチリジン(6-ヒドロキシ-m-フェニレン)メチレン]]ビス(2-メチル-1H-イミダゾール-3-イウム)
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： C30H36N4[N+]2O2
Molecular formula furigana： C30-H36-N6-O2
Molecular weight： 512.657
InChI： InChI=1S/C30H34N6O2/c1-21-31-11-13-35(21)19-23-7-9-29(37)25(15-23)17-33-27-5-3-4-6-28(27)34-18-26-16-24(8-10-30(26)38)20-36-14-12-32-22(36)2/h7-18,27-28H,3-6,19-20H2,1-2H3,(H2,33,34,37,38)/p+2/t27-,28-/m1/s1
InChI key： XHMDRMBSUIRIIE-VSGBNLITSA-P
SMILES： Cc1[nH]cc[n+]1Cc1ccc(O)c(C=N[C@@H]2CCCC[C@H]2N=Cc2cc(C[n+]3cc[nH]c3C)ccc2O)c1
Systematic name  (3)：
  • 3,3′-[[(1R)-シクロヘキサン-1β,2α-ジイル]ビス[ニトリロメチリジン(6-ヒドロキシ-m-フェニレン)メチレン]]ビス(2-メチル-1H-イミダゾール-3-イウム)
  • 3-{[4-ヒドロキシ-3-({[(1R,2R)-2-[({2-ヒドロキシ-5-[(2-メチル-1H-イミダゾール-3-イウム-3-イル)メチル]フェニル}メチリデン)アミノ]シクロヘキシル]イミノ}メチル)フェニル]メチル}-2-メチル-1H-イミダゾール-3-イウム
  • 3-{[4-hydroxy-3-({[(1R,2R)-2-[({2-hydroxy-5-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl}methylidene)amino]cyclohexyl]imino}methyl)phenyl]methyl}-2-methyl-1H-imidazol-3-ium
Other name (1)：
  • 3,3′-[[(1R)-Cyclohexane-1β,2α-diyl]bis[nitrilomethylidyne(6-hydroxy-m-phenylene)methylene]]bis(2-methyl-1H-imidazole-3-ium)
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