Chem
J-GLOBAL ID：200907062896648093   Nikkaji number：J2.762.619J

cis-2,3-Dihydrodiol DDT

3-[1-(4-クロロフェニル)-2,2,2-トリクロロエチル]-6-クロロ-3,5-シクロヘキサジエン-1β,2β-ジオール
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： C14H11Cl5O2
Molecular formula furigana： C14-H11-CL5-O2
Molecular weight： 388.490
InChI： InChI=1S/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H/t11?,12-,13+/m0/s1
InChI key： GSABQSGIWIDCHM-LWNNLKQOSA-N
SMILES： O[C@H]1[C@@H](O)C(=CC=C1Cl)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
Systematic name  (3)：
  • 3-[1-(4-クロロフェニル)-2,2,2-トリクロロエチル]-6-クロロ-3,5-シクロヘキサジエン-1β,2β-ジオール
  • (1S,2S)-3-クロロ-6-[2,2,2-トリクロロ-1-(4-クロロフェニル)エチル]シクロヘキサ-3,5-ジエン-1,2-ジオール
  • (1S,2S)-3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]cyclohexa-3,5-diene-1,2-diol
Other name (3)：
  • 3-[1-(4-Chlorophenyl)-2,2,2-trichloroethyl]-6-chloro-3,5-cyclohexadiene-1β,2β-diol
  • cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4′-chlorophenyl)ethane
  • cis-2,3-Dihydrodiol DDT
KEGG COMPOUND： C06649
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