Chem
J-GLOBAL ID：200907092157041934   Nikkaji number：J883.868B

2,4-Bis[4-[(E)-2-[3,4,5-tris(hexyloxy)phenyl]ethenyl]-2,6-dihydroxyphenyl]-3-hydroxy-2-cyclobuten-1-one

2,4-ビス[4-[(E)-2-[3,4,5-トリス(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]-3-ヒドロキシ-2-シクロブテン-1-オン
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： C68H96O12
Molecular formula furigana： C68-H96-O12
Molecular weight： 1105.504
InChI： InChI=1S/C68H96O12/c1-7-13-19-25-35-75-57-45-51(46-58(76-36-26-20-14-8-2)67(57)79-39-29-23-17-11-5)33-31-49-41-53(69)61(54(70)42-49)63-65(73)64(66(63)74)62-55(71)43-50(44-56(62)72)32-34-52-47-59(77-37-27-21-15-9-3)68(80-40-30-24-18-12-6)60(48-52)78-38-28-22-16-10-4/h31-34,41-48,63,69-73H,7-30,35-40H2,1-6H3/b33-31+,34-32+
InChI key： LTEOETNSWJOGHR-FMWAKIAMSA-N
SMILES： CCCCCCOc1cc(/C=C/c2cc(O)c(C3C(=C(C3=O)c3c(O)cc(/C=C/c4cc(OCCCCCC)c(OCCCCCC)c(OCCCCCC)c4)cc3O)O)c(O)c2)cc(OCCCCCC)c1OCCCCCC
Systematic name  (3)：
  • 2,4-ビス[4-[(E)-2-[3,4,5-トリス(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]-3-ヒドロキシ-2-シクロブテン-1-オン
  • 2,4-ビス({2,6-ジヒドロキシ-4-[(1E)-2-[3,4,5-トリス(ヘキシルオキシ)フェニル]エテニル]フェニル})-3-ヒドロキシシクロブタ-2-エン-1-オン
  • 2,4-bis({2,6-dihydroxy-4-[(1E)-2-[3,4,5-tris(hexyloxy)phenyl]ethenyl]phenyl})-3-hydroxycyclobut-2-en-1-one
Other name (1)：
  • 2,4-Bis[4-[(E)-2-[3,4,5-tris(hexyloxy)phenyl]ethenyl]-2,6-dihydroxyphenyl]-3-hydroxy-2-cyclobuten-1-one
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