Chem
J-GLOBAL ID：200907000501482285
Nikkaji number：J1.505.020I
(2E,5E)-4-Oxo-2,5-heptadienedioic acid dimethyl ester
(2E,5E)-4-オキソ-2,5-ヘプタジエン二酸ジメチル
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： C9H10O5
Molecular formula furigana： C9-H10-O5
Molecular weight： 198.174
InChI：
InChI=1S/C9H10O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H,1-2H3/b5-3+,6-4+
InChI key：
LNYFCQSSMWMOKV-GGWOSOGESA-N
SMILES：
COC(=O)/C=C/C(=O)/C=C/C(=O)OC
Systematic name (3)：
- (2E,5E)-4-オキソ-2,5-ヘプタジエン二酸ジメチル
- 1,7-ジメチル (2E,5E)-4-オキソヘプタ-2,5-ジエンジオアート
- 1,7-dimethyl (2E,5E)-4-oxohepta-2,5-dienedioate
- (2E,5E)-4-Oxo-2,5-heptadienedioic acid dimethyl ester
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