Chem
J-GLOBAL ID：200907046049433859
Nikkaji number：J785.082D
1α,4β-Cyclohexanedicarboxylic acid dimethyl ester
1α,4β-シクロヘキサンジカルボン酸ジメチル
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： C10H16O4
Molecular formula furigana： C10-H16-O4
Molecular weight： 200.234
InChI：
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8-
InChI key：
LNGAGQAGYITKCW-ZKCHVHJHSA-N
SMILES：
COC(=O)[C@H]1CC[C@@H](CC1)C(=O)OC
Systematic name (5)：
- シクロヘキサン-1α,4β-ジカルボン酸ジメチル
- 1α,4β-シクロヘキサンジカルボン酸ジメチル
- シクロヘキサン-1β,4α-ジカルボン酸ジメチル
- 1,4-ジメチル (1r,4r)-シクロヘキサン-1,4-ジカルボキシラート
- 1,4-dimethyl (1r,4r)-cyclohexane-1,4-dicarboxylate
- Cyclohexane-1α,4β-dicarboxylic acid dimethyl ester
- 1α,4β-Cyclohexanedicarboxylic acid dimethyl ester
- Cyclohexane-1β,4α-dicarboxylic acid dimethyl ester
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