Chem
J-GLOBAL ID：200907033358011867   Nikkaji number：J711.302A

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

2,4-ビス[(E)-3,5,5′-トリヒドロキシ-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+]2H70O10[O-]2
Molecular formula furigana： C56-H70-O12
Molecular weight： 935.164
InChI： InChI=1S/C56H71O12/c1-5-9-13-17-25-65-47-35-39(33-45(61)55(47)67-27-19-15-11-7-3)23-21-37-29-41(57)49(42(58)30-37)51-53(63)52(54(51)64)50-43(59)31-38(32-44(50)60)22-24-40-34-46(62)56(68-28-20-16-12-8-4)48(36-40)66-26-18-14-10-6-2/h21-24,29-36H,5-20,25-28H2,1-4H3,(H7-,57,58,59,60,61,62,63,64)/q+1/p-1/b23-21+,24-22+
InChI key： NJRNBSUUBZDZEH-MBALSZOMSA-M
SMILES： CCCCCCOc1cc(/C=C/c2cc(O)c(C3=C([O-])[C+](=[C+]3[O-])c3c(O)cc(/C=C/c4cc(O)c(OCCCCCC)c(OCCCCCC)c4)cc3O)c(O)c2)cc(O)c1OCCCCCC
Systematic name  (3)：
  • 2,4-ビス[(E)-3,5,5′-トリヒドロキシ-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)-5-ヒドロキシフェニル]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)-5-hydroxyphenyl]ethenyl]-2,6-dihydroxyphenyl})cyclobuta-1,3-dien-2-ium-1-ylium-2,4-bis(olate)
Other name (1)：
  • 2,4-Bis[(E)-3,5,5′-trihydroxy-3′,4′-bis(hexyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium
Thsaurus map：
Thesaurus Map

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