Chem
J-GLOBAL ID:200907043551634672
Nikkaji number:J956.276A
HAG-106
トラロシトリン
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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:
C22 H19 Br2 Cl2 NO3
Molecular formula furigana:
C22-H19-BR2-CL2-N-O3
Molecular weight:
576.110
InChI:
InChI=1S/C22H19Br2Cl2NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3
InChI key:
VQHJWDTTWVEXFE-UHFFFAOYSA-N
SMILES:
CC1(C)C(C(Br)C(Cl)(Cl)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
Systematic name (3):
2,2-ジメチル-3-(1,2-ジブロモ-2,2-ジクロロエチル)シクロプロパンカルボン酸シアノ(3-フェノキシフェニル)メチル
シアノ(3-フェノキシフェニル)メチル 3-(1,2-ジブロモ-2,2-ジクロロエチル)-2,2-ジメチルシクロプロパン-1-カルボキシラート
cyano(3-phenoxyphenyl)methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate
Other name (9):
CAS registry number:
66841-26-7
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