Chem
J-GLOBAL ID：200907028876262292   Nikkaji number：J1.125.396B

1,3-Bis[3,4-bis[[(S)-3,7-dimethyloctyl]oxy]phenyl]-3-hydroxy-2-propene-1-one

1,3-ビス[3,4-ビス[[(S)-3,7-ジメチルオクチル]オキシ]フェニル]-3-ヒドロキシ-2-プロペン-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： C55H92O6
Molecular formula furigana： C55-H92-O6
Molecular weight： 849.335
InChI： InChI=1S/C55H92O6/c1-40(2)17-13-21-44(9)29-33-58-52-27-25-48(37-54(52)60-35-31-46(11)23-15-19-42(5)6)50(56)39-51(57)49-26-28-53(59-34-30-45(10)22-14-18-41(3)4)55(38-49)61-36-32-47(12)24-16-20-43(7)8/h25-28,37-47,56H,13-24,29-36H2,1-12H3/t44-,45-,46-,47-/m0/s1
InChI key： OYBBRACXZHKDAA-GBGBWPTHSA-N
SMILES： CC(C)CCC[C@H](C)CCOc1ccc(cc1OCC[C@@H](C)CCCC(C)C)C(=CC(=O)c1ccc(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c1)O
Systematic name  (3)：
  • 1,3-ビス[3,4-ビス[[(S)-3,7-ジメチルオクチル]オキシ]フェニル]-3-ヒドロキシ-2-プロペン-1-オン
  • 1,3-ビス[3,4-ビス({[(3S)-3,7-ジメチルオクチル]オキシ})フェニル]-3-ヒドロキシプロパ-2-エン-1-オン
  • 1,3-bis[3,4-bis({[(3S)-3,7-dimethyloctyl]oxy})phenyl]-3-hydroxyprop-2-en-1-one
Other name (1)：
  • 1,3-Bis[3,4-bis[[(S)-3,7-dimethyloctyl]oxy]phenyl]-3-hydroxy-2-propene-1-one
Thsaurus map：
Thesaurus Map

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