Chem
J-GLOBAL ID：200907013748735180   Nikkaji number：J2.426.544G

1-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)-3,8-dimethyl-5-isopropyl-1,8a-dihydro(1-2H)azulene-4-ylium

1-(3-オキソ-1,3-ジヒドロイソベンゾフラン-1-イル)-3,8-ジメチル-5-イソプロピル-1,8a-ジヒドロ(1-2H)アズレン-4-イリウム
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： C22[C+]H22[2H]O2
Molecular formula furigana： C23-H23-O2
Molecular weight： 332.441
InChI： InChI=1S/C23H23O2/c1-13(2)16-10-9-14(3)21-19(12-16)15(4)11-20(21)22-17-7-5-6-8-18(17)23(24)25-22/h5-11,13,20-22H,1-4H3/q+1/i20D
InChI key： MHLDEDRYVBLKFP-YVHRXSIGSA-N
SMILES： C1([2H])(C=C(C)C2=[C+]C(=CC=C(C)C12)C(C)C)C1OC(=O)c2ccccc12
Systematic name  (3)：
  • 1-(3-オキソ-1,3-ジヒドロイソベンゾフラン-1-イル)-3,8-ジメチル-5-イソプロピル-1,8a-ジヒドロ(1-2H)アズレン-4-イリウム
  • 3,8-ジメチル-1-(3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-1-イル)-5-(プロパン-2-イル)-1,8a-ジヒドロ(1-2H)アズレン-4-イリウム
  • 3,8-dimethyl-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-5-(propan-2-yl)-1,8a-dihydro(1-2H)azulen-4-ylium
Other name (1)：
  • 1-(3-Oxo-1,3-dihydroisobenzofuran-1-yl)-3,8-dimethyl-5-isopropyl-1,8a-dihydro(1-2H)azulene-4-ylium
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