Chem
J-GLOBAL ID:200907027809728680   Nikkaji number:J875.492F

1,4-Bis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenyl-1-propynyl]-2,5-cyclohexadiene-1α,4β-diol

1,4-ビス[(3S)-3-(2-クロロフェニル)-3-ヒドロキシ-3-フェニル-1-プロピニル]-2,5-シクロヘキサジエン-1α,4β-ジオール
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: C36H26Cl2O4
Molecular formula furigana: C36-H26-CL2-O4
Molecular weight: 593.500
InChI: InChI=1S/C36H26Cl2O4/c37-31-17-9-7-15-29(31)35(41,27-11-3-1-4-12-27)25-23-33(39)19-21-34(40,22-20-33)24-26-36(42,28-13-5-2-6-14-28)30-16-8-10-18-32(30)38/h1-22,39-42H/t33-,34-,35-,36-/m1/s1
InChI key: VOPHJJBBRJKACW-MGXDLYCJSA-N
SMILES: O[C@](C#C[C@]1(O)C=C[C@](O)(C=C1)C#C[C@@](O)(c1ccccc1)c1ccccc1Cl)(c1ccccc1)c1ccccc1Cl
Systematic name  (3):
  • 1,4-ビス[(3S)-3-(2-クロロフェニル)-3-ヒドロキシ-3-フェニル-1-プロピニル]-2,5-シクロヘキサジエン-1α,4β-ジオール
  • (1r,4r)-1,4-ビス[(3S)-3-(2-クロロフェニル)-3-ヒドロキシ-3-フェニルプロパ-1-イン-1-イル]シクロヘキサ-2,5-ジエン-1,4-ジオール
  • (1r,4r)-1,4-bis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenylprop-1-yn-1-yl]cyclohexa-2,5-diene-1,4-diol
Other name (1):
  • 1,4-Bis[(3S)-3-(2-chlorophenyl)-3-hydroxy-3-phenyl-1-propynyl]-2,5-cyclohexadiene-1α,4β-diol
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