Chem
J-GLOBAL ID：200907073696439343   Nikkaji number：J883.869K

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

2,4-ビス[4-[(E)-2-[4-ヒドロキシ-3,5-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]-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： C56H72O12
Molecular formula furigana： C56-H72-O12
Molecular weight： 937.180
InChI： InChI=1S/C56H72O12/c1-5-9-13-17-25-65-45-33-39(34-46(53(45)61)66-26-18-14-10-6-2)23-21-37-29-41(57)49(42(58)30-37)51-55(63)52(56(51)64)50-43(59)31-38(32-44(50)60)22-24-40-35-47(67-27-19-15-11-7-3)54(62)48(36-40)68-28-20-16-12-8-4/h21-24,29-36,51,57-63H,5-20,25-28H2,1-4H3/b23-21+,24-22+
InChI key： WZXXHQNJORUTTI-MBALSZOMSA-N
SMILES： CCCCCCOc1cc(/C=C/c2cc(O)c(C3C(=C(C3=O)c3c(O)cc(/C=C/c4cc(OCCCCCC)c(O)c(OCCCCCC)c4)cc3O)O)c(O)c2)cc(OCCCCCC)c1O
Systematic name  (3)：
  • 2,4-ビス[4-[(E)-2-[4-ヒドロキシ-3,5-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]-3-ヒドロキシ-2-シクロブテン-1-オン
  • 2,4-ビス({4-[(1E)-2-[3,5-ビス(ヘキシルオキシ)-4-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})-3-ヒドロキシシクロブタ-2-エン-1-オン
  • 2,4-bis({4-[(1E)-2-[3,5-bis(hexyloxy)-4-hydroxyphenyl]ethenyl]-2,6-dihydroxyphenyl})-3-hydroxycyclobut-2-en-1-one
Other name (1)：
  • 2,4-Bis[4-[(E)-2-[4-hydroxy-3,5-bis(hexyloxy)phenyl]ethenyl]-2,6-dihydroxyphenyl]-3-hydroxy-2-cyclobuten-1-one
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