Chem
J-GLOBAL ID：201307069875355670   Nikkaji number：J3.178.978H

3,9,15,21,27,33-Hexabromo-6H,12H,18H,24H,30H,36H-hexabenzo[b,f,j,n,r,v][1,5,9,13,17,21]hexaoxacyclotetracosin-6,12,18,24,30,36-hexaone

3,9,15,21,27,33-ヘキサブロモ-6H,12H,18H,24H,30H,36H-ヘキサベンゾ[b,f,j,n,r,v][1,5,9,13,17,21]ヘキサオキサシクロテトラコシン-6,12,18,24,30,36-ヘキサオン
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： C42H18Br6O12
Molecular formula furigana： C42-H18-BR6-O12
Molecular weight： 1194.018
InChI： InChI=1S/C42H18Br6O12/c43-19-1-7-25-31(13-19)55-38(50)27-9-3-21(45)15-33(27)57-40(52)29-11-5-23(47)17-35(29)59-42(54)30-12-6-24(48)18-36(30)60-41(53)28-10-4-22(46)16-34(28)58-39(51)26-8-2-20(44)14-32(26)56-37(25)49/h1-18H
InChI key： BYTPDPDHTKOLFL-UHFFFAOYSA-N
SMILES： Brc1ccc2c(OC(=O)c3ccc(Br)cc3OC(=O)c3ccc(Br)cc3OC(=O)c3ccc(Br)cc3OC(=O)c3ccc(Br)cc3OC(=O)c3ccc(Br)cc3OC2=O)c1
Systematic name  (3)：
  • 3,9,15,21,27,33-ヘキサブロモ-6H,12H,18H,24H,30H,36H-ヘキサベンゾ[b,f,j,n,r,v][1,5,9,13,17,21]ヘキサオキサシクロテトラコシン-6,12,18,24,30,36-ヘキサオン
  • 7,15,23,31,39,47-ヘキサブロモ-2,10,18,26,34,42-ヘキサオキサヘプタシクロ[42.4.0.04,9.012,17.020,25.028,33.036,41]オクタテトラコンタ-1(48),4,6,8,12,14,16,20,22,24,28,30,32,36,38,40,44,46-オクタデカエン-3,11,19,27,35,43-ヘキサオン
  • 7,15,23,31,39,47-hexabromo-2,10,18,26,34,42-hexaoxaheptacyclo[42.4.0.04,9.012,17.020,25.028,33.036,41]octatetraconta-1(48),4,6,8,12,14,16,20,22,24,28,30,32,36,38,40,44,46-octadecaene-3,11,19,27,35,43-hexone
Other name (1)：
  • 3,9,15,21,27,33-Hexabromo-6H,12H,18H,24H,30H,36H-hexabenzo[b,f,j,n,r,v][1,5,9,13,17,21]hexaoxacyclotetracosin-6,12,18,24,30,36-hexaone
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