Chem
J-GLOBAL ID：200907093913390448
Nikkaji number：J2.028.236C
6-Iodoazulene-1,3-dicarboxylic acid diethyl ester
6-ヨードアズレン-1,3-ジカルボン酸ジエチル
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： C16H15IO4
Molecular formula furigana： C16-H15-I-O4
Molecular weight： 398.196
InChI：
InChI=1S/C16H15IO4/c1-3-20-15(18)13-9-14(16(19)21-4-2)12-8-6-10(17)5-7-11(12)13/h5-9H,3-4H2,1-2H3
InChI key：
DEUNRXAIPXRMJY-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1cc(C(=O)OCC)c2ccc(I)ccc12
Systematic name (3)：
- 6-ヨードアズレン-1,3-ジカルボン酸ジエチル
- 1,3-ジエチル 6-ヨードアズレン-1,3-ジカルボキシラート
- 1,3-diethyl 6-iodoazulene-1,3-dicarboxylate
- 6-Iodoazulene-1,3-dicarboxylic acid diethyl ester
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