Chem
J-GLOBAL ID：200907012256992882   Nikkaji number：J1.081.445F

BPA-d16

ビスフェノールA-d16
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： C15[2H]16O2
Molecular formula furigana： C15-H16-O2
Molecular weight： 244.389
InChI： InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2
InChI key： IISBACLAFKSPIT-MAJJRYNQSA-N
SMILES： O([2H])c1c([2H])c([2H])c(c([2H])c1[2H])C(c1c([2H])c([2H])c(O[2H])c([2H])c1[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Systematic name  (8)：
  • 4,4′-[(1,1,1,3,3,3-2H6)プロパン-2,2-ジイル]ビス[1-(2H)ヒドロキシ(2,3,5,6-2H4)ベンゼン]
  • 4,4′-[(2H6)イソプロピリデン]ビス[(2,3,5,6-2H4)ベンゼン-1-(O-2H)オール]
  • 4,4′-[1-[(2H3)メチル](2,2,2-2H3)エチリデン]ビス[1-(2H)ヒドロキシ(2,3,5,6-2H4)ベンゼン]
  • 2,2-ビス[4-(2H)ヒドロキシ(2,3,5,6-2H4)フェニル](1,1,1,3,3,3-2H6)プロパン
  • 4,4′-ビス[(2H3)メチル]メチレンビス[1-(2H)ヒドロキシ-(2,3,5,6-2H4)ベンゼン]
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Other name (10)：
  • 2,2-Bis[4-(2H)hydroxy(2,3,5,6-2H4)phenyl](1,1,1,3,3,3-2H6)propane
  • 4,4′-[1-[(2H3)Methyl](2,2,2-2H3)ethylidene]bis[1-(2H)hydroxy(2,3,5,6-2H4)benzene]
  • 4,4′-[(2H6)Isopropylidene]bis[(2,3,5,6-2H4)benzene-1-(O-2H)ol]
  • 4,4′-[(1,1,1,3,3,3-2H6)Propane-2,2-diyl]bis[1-(2H)hydroxy(2,3,5,6-2H4)benzene]
  • BPA-d16
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