Chem
J-GLOBAL ID：201207089705463170
Nikkaji number：J2.999.915E
Benzoic acid 4-oxotetrahydro-2H-pyran-3α-yl ester
(3S)-4-オキソオキサン-3-イル ベンゾアート
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： C12H12O4
Molecular formula furigana： C12-H12-O4
Molecular weight： 220.224
InChI：
InChI=1S/C12H12O4/c13-10-6-7-15-8-11(10)16-12(14)9-4-2-1-3-5-9/h1-5,11H,6-8H2/t11-/m0/s1
InChI key：
CRLBPICQXUWPNT-NSHDSACASA-N
SMILES：
O=C(O[C@H]1COCCC1=O)c1ccccc1
Systematic name (3)：
- 安息香酸4-オキソテトラヒドロ-2H-ピラン-3α-イル
- (3S)-4-オキソオキサン-3-イル ベンゾアート
- (3S)-4-oxooxan-3-yl benzoate
- Benzoic acid 4-oxotetrahydro-2H-pyran-3α-yl ester
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