Chem
J-GLOBAL ID：200907044189510966
Nikkaji number：J1.648.640J
(4aα,9aβ)-Octahydro-5H-cyclohepta-1,4-dioxin-2,3-dione
(4aα,9aβ)-オクタヒドロ-5H-シクロヘプタ-1,4-ジオキシン-2,3-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： C9H12O4
Molecular formula furigana： C9-H12-O4
Molecular weight： 184.191
InChI：
InChI=1S/C9H12O4/c10-8-9(11)13-7-5-3-1-2-4-6(7)12-8/h6-7H,1-5H2/t6-,7-/m0/s1
InChI key：
MSPHPHUEWJVWBR-BQBZGAKWSA-N
SMILES：
O=C1O[C@H]2CCCCC[C@@H]2OC1=O
Systematic name (3)：
- (4aα,9aβ)-オクタヒドロ-5H-シクロヘプタ-1,4-ジオキシン-2,3-ジオン
- (4aS,9aS)-オクタヒドロ-2H-シクロヘプタ[b][1,4]ジオキシン-2,3-ジオン
- (4aS,9aS)-octahydro-2H-cyclohepta[b][1,4]dioxine-2,3-dione
- (4aα,9aβ)-Octahydro-5H-cyclohepta-1,4-dioxin-2,3-dione
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