Chem
J-GLOBAL ID：200907005563830354
Nikkaji number：J1.936.398H
(1S)-1,6α-Dihydroxy-4-chloro-2,4-cyclohexadiene-1α-carboxylic acid
(1S)-1,6α-ジヒドロキシ-4-クロロ-2,4-シクロヘキサジエン-1α-カルボン酸
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： C7H7ClO4
Molecular formula furigana： C7-H7-CL-O4
Molecular weight： 190.580
InChI：
InChI=1S/C7H7ClO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11)/t5-,7-/m0/s1
InChI key：
BHVAFUUGLBIZNC-FSPLSTOPSA-N
SMILES：
O[C@H]1C=C(Cl)C=C[C@@]1(O)C(=O)O
Systematic name (3)：
- (1S)-1,6α-ジヒドロキシ-4-クロロ-2,4-シクロヘキサジエン-1α-カルボン酸
- (1S,6S)-4-クロロ-1,6-ジヒドロキシシクロヘキサ-2,4-ジエン-1-カルボン酸
- (1S,6S)-4-chloro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
- (1S)-1,6α-Dihydroxy-4-chloro-2,4-cyclohexadiene-1α-carboxylic acid
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