Chem
J-GLOBAL ID：200907003188376451   Nikkaji number：J747.998K

Fumaric acid 1-(biphenyl-4-yl)4-(1β,1′-bi[cyclohexan]-4α-yl) ester

フマル酸1-(ビフェニル-4-イル)4-(1β,1′-ビ[シクロヘキサン]-4α-イル)
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： C28H32O4
Molecular formula furigana： C28-H32-O4
Molecular weight： 432.560
InChI： InChI=1S/C28H32O4/c29-27(31-25-15-11-23(12-16-25)21-7-3-1-4-8-21)19-20-28(30)32-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,15-16,19-20,22,24,26H,2,5-6,9-10,13-14,17-18H2/b20-19+/t24-,26-
InChI key： XEBBWJGJIKJOML-FLPVWFLMSA-N
SMILES： O=C(O[C@H]1CC[C@@H](CC1)C1CCCCC1)/C=C/C(=O)Oc1ccc(cc1)c1ccccc1
Systematic name  (3)：
  • フマル酸1-(ビフェニル-4-イル)4-(1β,1′-ビ[シクロヘキサン]-4α-イル)
  • [1,1'-ビフェニル]-4-イル (1r,4r)-[1,1'-ビ(シクロヘキサン)]-4-イル (2E)-ブタ-2-エンジオアート
  • [1,1'-biphenyl]-4-yl (1r,4r)-[1,1'-bi(cyclohexane)]-4-yl (2E)-but-2-enedioate
Other name (1)：
  • Fumaric acid 1-(biphenyl-4-yl)4-(1β,1′-bi[cyclohexan]-4α-yl) ester
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