Chem
J-GLOBAL ID：200907075110165307   Nikkaji number：J709.994K

2-[(E)-4′-(Hexyloxy)stilben-4-yl]-4-[(E)-4′-(decyloxy)stilben-4-yl]1,3-dioxylato-3-cyclobutene-1,2-diium

2-[(E)-4′-(ヘキシルオキシ)スチルベン-4-イル]-4-[(E)-4′-(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： C46[C+]2H54O2[O-]2
Molecular formula furigana： C48-H54-O4
Molecular weight： 694.956
InChI： InChI=1S/C48H55O4/c1-3-5-7-9-10-11-12-14-36-52-44-33-25-40(26-34-44)18-16-38-21-29-42(30-22-38)46-47(49)45(48(46)50)41-27-19-37(20-28-41)15-17-39-23-31-43(32-24-39)51-35-13-8-6-4-2/h15-34H,3-14,35-36H2,1-2H3,(H-,49,50)/q+1/p-1/b17-15+,18-16+
InChI key： NVWSREBZBTWUEV-YTEMWHBBSA-M
SMILES： CCCCCCCCCCOc1ccc(/C=C/c2ccc(cc2)C2=C([O-])[C+](=[C+]2[O-])c2ccc(/C=C/c3ccc(OCCCCCC)cc3)cc2)cc1
Systematic name  (3)：
  • 2-[(E)-4′-(ヘキシルオキシ)スチルベン-4-イル]-4-[(E)-4′-(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
  • 3-{4-[(1E)-2-[4-(デシルオキシ)フェニル]エテニル]フェニル}-1-{4-[(1E)-2-[4-(ヘキシルオキシ)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)
  • 3-{4-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]phenyl}-1-{4-[(1E)-2-[4-(hexyloxy)phenyl]ethenyl]phenyl}cyclobuta-1,3-dien-2-ium-1-ylium-2,4-bis(olate)
Other name (1)：
  • 2-[(E)-4′-(Hexyloxy)stilben-4-yl]-4-[(E)-4′-(decyloxy)stilben-4-yl]1,3-dioxylato-3-cyclobutene-1,2-diium
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