Chem
J-GLOBAL ID：200907073992467344   Nikkaji number：J2.309.093G

α,α-Bis(hydroxymethyl)-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3-acetonitrile

α,α-ビス(ヒドロキシメチル)-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3-アセトニトリル
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： C18H23NO4
Molecular formula furigana： C18-H23-N-O4
Molecular weight： 317.385
InChI： InChI=1S/C18H23NO4/c19-11-17(12-20,13-21)16-6-3-7-18(8-16)22-9-14-4-1-2-5-15(14)10-23-18/h1-2,4-5,16,20-21H,3,6-10,12-13H2
InChI key： RBWWYLKOLHSLDP-UHFFFAOYSA-N
SMILES： OCC(CO)(C#N)C1CCCC2(C1)OCc1ccccc1CO2
Systematic name  (3)：
  • α,α-ビス(ヒドロキシメチル)-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3-アセトニトリル
  • 2-{1,5-ジヒドロスピロ[2,4-ベンゾジオキセピン-3,1'-シクロヘキサン]-5'-イル}-3-ヒドロキシ-2-(ヒドロキシメチル)プロパンニトリル
  • 2-{1,5-dihydrospiro[2,4-benzodioxepine-3,1'-cyclohexan]-5'-yl}-3-hydroxy-2-(hydroxymethyl)propanenitrile
Other name (1)：
  • α,α-Bis(hydroxymethyl)-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3-acetonitrile
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