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Substance Name: 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene
RN: 84605-00-5
InChIKey: PQCIWCLZNVPWIH-UHFFFAOYSA-N

Molecular Formula

  • C20-H6-Br-Cl12-N-O2

Molecular Weight

  • 797.612
 
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Names and Synonyms

Synonym

  • EINECS 283-386-5

Systematic Name

  • 10-Bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene

Registry Numbers

CAS Registry Number

  • 84605-00-5

System Generated Number

  • 0084605005

Structure Descriptors

InChI

1S/C20H6BrCl12NO2/c21-5-1-3-4(2-6(5)34(35)36)8-10(18(29)14(25)12(23)16(8,27)20(18,32)33)9-7(3)15(26)11(22)13(24)17(9,28)19(15,30)31/h1-2,7-10H

InChIKey

PQCIWCLZNVPWIH-UHFFFAOYSA-N

Smiles

C=1([C@@]2([C@@H]3[C@@H](c4cc([N+]([O-])=O)c(Br)cc4[C@@H]4[C@@H]3[C@@]3(C(=C([C@@]4(C3(Cl)Cl)Cl)Cl)Cl)Cl)[C@@](Cl)(C2(Cl)Cl)C1Cl)Cl)Cl