Chem
J-GLOBAL ID：202007006727140006
Nikkaji number：J3.748.553E
(2R,4S)-2,4-ジメチル-5-オキソ-5-エトキシペンタン酸
(2R,4S)-2,4-ジメチル-5-オキソ-5-エトキシペンタン酸
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： C9H16O4
Molecular formula furigana： C9-H16-O4
Molecular weight： 188.223
InChI：
InChI=1S/C9H16O4/c1-4-13-9(12)7(3)5-6(2)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
InChI key：
MNXZVCKURKLPDR-RQJHMYQMSA-N
SMILES：
C(=O)([C@@H](C[C@@H](C(=O)OCC)C)C)O
Systematic name (3)：
- (2R,4S)-2,4-ジメチル-5-オキソ-5-エトキシペンタン酸
- (2R,4S)-5-エトキシ-2,4-ジメチル-5-オキソペンタン酸
- (2R,4S)-5-ethoxy-2,4-dimethyl-5-oxopentanoic acid
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