Chem
J-GLOBAL ID:200907017979212526
Nikkaji number:J965.902A
(5S,6R,9S)-5-Chloro-6,9-dibromo-1,2,3,3a,4,5,6,7,8,8a-decahydro-2,5-cyclo-1,7:4,8-dimethanoazulene
(4S,9S,10R)-4,10-ジブロモ-9-クロロペンタシクロ[6.4.0.02,6 .03,11 .05,9 ]ドデカン
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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:
C12 H13 Br2 Cl
Molecular formula furigana:
C12-H13-BR2-CL
Molecular weight:
352.490
InChI:
InChI=1S/C12H13Br2Cl/c13-10-8-5-1-3-6-2-4(7(3)8)9(10)12(6,15)11(5)14/h3-11H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11+,12-/m0/s1
InChI key:
KJSZJEOSXBGENP-LRPRZMQISA-N
SMILES:
Cl[C@@]12C3CC4C5C3CC(C5[C@H](Br)C14)[C@H]2Br
Systematic name (3):
(5S,6R,9S)-5-クロロ-6,9-ジブロモ-1,2,3,3a,4,5,6,7,8,8a-デカヒドロ-2,5-シクロ-1,7:4,8-ジメタノアズレン
(4S,9S,10R)-4,10-ジブロモ-9-クロロペンタシクロ[6.4.0.02,6 .03,11 .05,9 ]ドデカン
(4S,9S,10R)-4,10-dibromo-9-chloropentacyclo[6.4.0.02,6 .03,11 .05,9 ]dodecane
Other name (1):
(5S,6R,9S)-5-Chloro-6,9-dibromo-1,2,3,3a,4,5,6,7,8,8a-decahydro-2,5-cyclo-1,7:4,8-dimethanoazulene
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