Chem
J-GLOBAL ID：200907032115251472   Nikkaji number：J709.992D

2,4-Bis[(E)-3,5-dihydroxy-4′-(dodecyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium

2,4-ビス[(E)-3,5-ジヒドロキシ-4′-(ドデシルオキシ)スチルベン-4-イル]-1,3-ジオキシラト-3-シクロブテン-1,2-ジイウム
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： C54[C+]2H70O6[O-]2
Molecular formula furigana： C56-H70-O8
Molecular weight： 871.168
InChI： InChI=1S/C56H71O8/c1-3-5-7-9-11-13-15-17-19-21-35-63-45-31-27-41(28-32-45)23-25-43-37-47(57)51(48(58)38-43)53-55(61)54(56(53)62)52-49(59)39-44(40-50(52)60)26-24-42-29-33-46(34-30-42)64-36-22-20-18-16-14-12-10-8-6-4-2/h23-34,37-40H,3-22,35-36H2,1-2H3,(H5-,57,58,59,60,61,62)/q+1/p-1/b25-23+,26-24+
InChI key： RNIMGTXVLBQFIG-OGGGYYITSA-M
SMILES： CCCCCCCCCCCCOc1ccc(/C=C/c2cc(O)c(C3=C([O-])[C+](=[C+]3[O-])c3c(O)cc(/C=C/c4ccc(OCCCCCCCCCCCC)cc4)cc3O)c(O)c2)cc1
Systematic name  (3)：
  • 2,4-ビス[(E)-3,5-ジヒドロキシ-4′-(ドデシルオキシ)スチルベン-4-イル]-1,3-ジオキシラト-3-シクロブテン-1,2-ジイウム
  • ビス({4-[(1E)-2-[4-(ドデシルオキシ)フェニル]エテニル]-2,6-ジヒドロキシフェニル})シクロブタ-1,3-ジエン-2-イウム-1-イリウム-2,4-ビス(オラート)
  • bis({4-[(1E)-2-[4-(dodecyloxy)phenyl]ethenyl]-2,6-dihydroxyphenyl})cyclobuta-1,3-dien-2-ium-1-ylium-2,4-bis(olate)
Other name (1)：
  • 2,4-Bis[(E)-3,5-dihydroxy-4′-(dodecyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium
Thsaurus map：
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