Chem
J-GLOBAL ID：200907017063286907   Nikkaji number：J709.990H

2,4-Bis[(E)-3,5-dihydroxy-4′-(octyloxy)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′-(オクチルオキシ)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： C46[C+]2H54O6[O-]2
Molecular formula furigana： C48-H54-O8
Molecular weight： 758.952
InChI： InChI=1S/C48H55O8/c1-3-5-7-9-11-13-27-55-37-23-19-33(20-24-37)15-17-35-29-39(49)43(40(50)30-35)45-47(53)46(48(45)54)44-41(51)31-36(32-42(44)52)18-16-34-21-25-38(26-22-34)56-28-14-12-10-8-6-4-2/h15-26,29-32H,3-14,27-28H2,1-2H3,(H5-,49,50,51,52,53,54)/q+1/p-1/b17-15+,18-16+
InChI key： SXUKTXNQZWKYRU-YTEMWHBBSA-M
SMILES： CCCCCCCCOc1ccc(/C=C/c2cc(O)c(C3=C([O-])[C+](=[C+]3[O-])c3c(O)cc(/C=C/c4ccc(OCCCCCCCC)cc4)cc3O)c(O)c2)cc1
Systematic name  (3)：
  • 2,4-ビス[(E)-3,5-ジヒドロキシ-4′-(オクチルオキシ)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({2,6-ジヒドロキシ-4-[(1E)-2-[4-(オクチルオキシ)フェニル]エテニル]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({2,6-dihydroxy-4-[(1E)-2-[4-(octyloxy)phenyl]ethenyl]phenyl})cyclobuta-1,3-dien-2-ium-1-ylium-2,4-bis(olate)
Other name (1)：
  • 2,4-Bis[(E)-3,5-dihydroxy-4′-(octyloxy)stilben-4-yl]-1,3-dioxylato-3-cyclobutene-1,2-diium
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