Chem
J-GLOBAL ID：201207066641366664   Nikkaji number：J3.078.746C

2-Methyl-2-[8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decane-8-yl]propanenitrile

2-メチル-2-[8-[クロロ(p-トリルスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル]プロパンニトリル
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： C20H26ClNO3S
Molecular formula furigana： C20-H26-CL-N-O3-S
Molecular weight： 395.940
InChI： InChI=1S/C20H26ClNO3S/c1-15-4-6-16(7-5-15)26(23)17(21)19(18(2,3)14-22)8-10-20(11-9-19)24-12-13-25-20/h4-7,17H,8-13H2,1-3H3
InChI key： AASJOTMAODRBSA-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)C(Cl)C1(CCC2(CC1)OCCO2)C(C)(C)C#N
Systematic name  (3)：
  • 2-メチル-2-[8-[クロロ(p-トリルスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル]プロパンニトリル
  • 2-{8-[クロロ(4-メチルベンゼンスルフィニル)メチル]-1,4-ジオキサスピロ[4.5]デカン-8-イル}-2-メチルプロパンニトリル
  • 2-{8-[chloro(4-methylbenzenesulfinyl)methyl]-1,4-dioxaspiro[4.5]decan-8-yl}-2-methylpropanenitrile
Other name (1)：
  • 2-Methyl-2-[8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decane-8-yl]propanenitrile
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