Chem
J-GLOBAL ID：200907074088937183
Nikkaji number：J640.759E
(3aβ,8aα)-Hexahydro-4H-cyclohepta-1,3-dioxole-2-one
(3aR,8aR)-オクタヒドロシクロヘプタ[d][1,3]ジオキソール-2-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： C8H12O3
Molecular formula furigana： C8-H12-O3
Molecular weight： 156.181
InChI：
InChI=1S/C8H12O3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h6-7H,1-5H2/t6-,7-/m1/s1
InChI key：
YSSUBUNEGWFVMY-RNFRBKRXSA-N
SMILES：
O=C1O[C@@H]2CCCCC[C@H]2O1
Systematic name (4)：
- (3aR,8aR)-ヘキサヒドロ-3aH-シクロヘプタ-1,3-ジオキソール-2-オン
- (3aβ,8aα)-ヘキサヒドロ-4H-シクロヘプタ-1,3-ジオキソール-2-オン
- (3aR,8aR)-オクタヒドロシクロヘプタ[d][1,3]ジオキソール-2-オン
- (3aR,8aR)-octahydrocyclohepta[d][1,3]dioxol-2-one
- (3aβ,8aα)-Hexahydro-4H-cyclohepta-1,3-dioxole-2-one
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