Chem
J-GLOBAL ID:200907054017996641
Nikkaji number:J834.759J
5-Chloro-4,6-dihydroxymellein
5-クロロ-4,6-ジヒドロキシメレイン
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Substance type:
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
Molecular formula:
C10 H9 ClO5
Molecular formula furigana:
C10-H9-CL-O5
Molecular weight:
244.630
InChI:
InChI=1S/C10H9ClO5/c1-3-9(14)7-6(10(15)16-3)4(12)2-5(13)8(7)11/h2-3,9,12-14H,1H3/t3-,9+/m1/s1
InChI key:
ADCGGGYNNDZRRJ-OLLQQOEVSA-N
SMILES:
C[C@H]1OC(=O)c2c(O)cc(O)c(Cl)c2[C@H]1O
Systematic name (3):
(3R)-3,4-ジヒドロ-3α-メチル-5-クロロ-4α,6,8-トリヒドロキシイソクマリン
(3R,4R)-5-クロロ-4,6,8-トリヒドロキシ-3-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
(3R,4R)-5-chloro-4,6,8-trihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one
Other name (3):
5-クロロ-4,6-ジヒドロキシメレイン
5-Chloro-4,6-dihydroxymellein
(3R)-3,4-Dihydro-3α-methyl-5-chloro-4α,6,8-trihydroxyisocoumarin
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