Chem
J-GLOBAL ID：200907093658381090   Nikkaji number：J12.814G

Violacene

ビオラセン
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： C10H13BrCl4
Molecular formula furigana： C10-H13-BR-CL4
Molecular weight： 354.920
InChI： InChI=1S/C10H13BrCl4/c1-9(2-3-12)5-10(15,6-11)8(14)4-7(9)13/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-,8+,9+,10+/m1/s1
InChI key： UJTXKWHTNURSMJ-VTLUXTFQSA-N
SMILES： C[C@@]1(C[C@](Cl)(CBr)[C@@H](Cl)C[C@H]1Cl)/C=C/Cl
Systematic name  (4)：
  • (1R)-1-ブロモメチル-1,2β,4β-トリクロロ-5β-[(E)-2-クロロエテニル]-5-メチルシクロヘキサン
  • (1R)-1β,2β,4β-トリクロロ-5β-[(E)-2-クロロビニル]-1-(ブロモメチル)-5-メチルシクロヘキサン
  • (1R,2S,4R,5R)-1-(ブロモメチル)-1,2,4-トリクロロ-5-[(1E)-2-クロロエテニル]-5-メチルシクロヘキサン
  • (1R,2S,4R,5R)-1-(bromomethyl)-1,2,4-trichloro-5-[(1E)-2-chloroethenyl]-5-methylcyclohexane
Other name (4)：
  • ビオラセン
  • Violacene
  • (1R)-1-Bromomethyl-1,2β,4β-trichloro-5β-[(E)-2-chloroethenyl]-5-methylcyclohexane
  • (1R)-1β,2β,4β-Trichloro-5β-[(E)-2-chlorovinyl]-1-(bromomethyl)-5-methylcyclohexane
CAS registry number： 54279-01-5
KEGG COMPOUND： C17107
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