Chem
J-GLOBAL ID：200907036617687296
Nikkaji number：J1.224.857A
4β-Methyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1,3-dione
4β-メチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1,3-ジオン
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
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
Molecular formula： C9H10O3
Molecular formula furigana： C9-H10-O3
Molecular weight： 166.176
InChI：
InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m0/s1
InChI key：
XPEKVUUBSDFMDR-XVMARJQXSA-N
SMILES：
C[C@H]1C=CC[C@@H]2[C@H]1C(=O)OC2=O
Systematic name (5)：
- (3aS)-3aα,4,7,7aα-テトラヒドロ-4β-メチルイソベンゾフラン-1,3-ジオン
- (3aS)-4β-メチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1,3-ジオン
- 4β-メチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1,3-ジオン
- (3aS,4S,7aR)-4-メチル-1,3,3a,4,7,7a-ヘキサヒドロ-2-ベンゾフラン-1,3-ジオン
- (3aS,4S,7aR)-4-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
- (3aS)-3aα,4,7,7aα-Tetrahydro-4β-methylisobenzofuran-1,3-dione
- (3aS)-4β-Methyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1,3-dione
- 4β-Methyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1,3-dione
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