Chem
J-GLOBAL ID:200907065937846295   Nikkaji number:J1.465.844K

4,41-Dibromo-13,18,27,32-tetradodecyltridecacyclo[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]dotetracontane-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosene

4,41-ジブロモ-13,18,27,32-テトラドデシルトリデカシクロ[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]ドテトラコンタン-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘニコサエン
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: C90H112Br2
Molecular formula furigana: C90-H112-BR2
Molecular weight: 1353.694
InChI: InChI=1S/C90H112Br2/c1-5-9-13-17-21-25-29-33-37-41-45-61-49-67-68-50-62(46-42-38-34-30-26-22-18-14-10-6-2)52-70-72-54-64(48-44-40-36-32-28-24-20-16-12-8-4)56-74-76-58-66(92)60-78-77-59-65(91)57-75-73-55-63(47-43-39-35-31-27-23-19-15-11-7-3)53-71-69(51-61)79(67)85-86(80(68)70)88(82(72)74)90(84(76)78)89(83(75)77)87(85)81(71)73/h49-60H,5-48H2,1-4H3
InChI key: XXWWGOAQWLAZEI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1cc2c3cc(Br)cc4c5cc(Br)cc6c7cc(CCCCCCCCCCCC)cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (3):
  • 4,41-ジブロモ-13,18,27,32-テトラドデシルトリデカシクロ[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]ドテトラコンタン-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘニコサエン
  • 6,39-ジブロモ-11,20,25,34-テトラドデシルトリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン
  • 6,39-dibromo-11,20,25,34-tetradodecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
Other name (1):
  • 4,41-Dibromo-13,18,27,32-tetradodecyltridecacyclo[36.4.0.02,7.06,11.08,37.09,22.010,15.016,21.020,25.023,36.024,29.030,35.034,39]dotetracontane-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosene
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