Chem
J-GLOBAL ID：200907089282193737   Nikkaji number：J710.273I

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

2,4-ビス[(E)-3,5-ジヒドロキシ-3′,4′-ビス(ヘキシルオキシ)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+]2H70O8[O-]2
Molecular formula furigana： C56-H70-O10
Molecular weight： 903.166
InChI： InChI=1S/C56H71O10/c1-5-9-13-17-29-63-47-27-25-39(37-49(47)65-31-19-15-11-7-3)21-23-41-33-43(57)51(44(58)34-41)53-55(61)54(56(53)62)52-45(59)35-42(36-46(52)60)24-22-40-26-28-48(64-30-18-14-10-6-2)50(38-40)66-32-20-16-12-8-4/h21-28,33-38H,5-20,29-32H2,1-4H3,(H5-,57,58,59,60,61,62)/q+1/p-1/b23-21+,24-22+
InChI key： XWTOVXBXYQKMQA-MBALSZOMSA-M
SMILES： CCCCCCOc1ccc(/C=C/c2cc(O)c(C3=C([O-])[C+](=[C+]3[O-])c3c(O)cc(/C=C/c4ccc(OCCCCCC)c(OCCCCCC)c4)cc3O)c(O)c2)cc1OCCCCCC
Systematic name  (3)：
  • 2,4-ビス[(E)-3,5-ジヒドロキシ-3′,4′-ビス(ヘキシルオキシ)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-[3,4-ビス(ヘキシルオキシ)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-[3,4-bis(hexyloxy)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-3′,4′-bis(hexyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium
Thsaurus map：
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