Chem
J-GLOBAL ID:200907049953071915   Nikkaji number:J1.727.451A

4,4′-[(4,6-Dibromo-1,3-phenylene)bis[(Z)-vinylene]]bis[(1S,3aS,4S,7aS)-1-(tert-butyloxy)-3a,4,7,7a-tetrahydroindan]

4,4′-[(4,6-ジブロモ-1,3-フェニレン)ビス[(Z)-ビニレン]]ビス[(1S,3aS,4S,7aS)-1-(tert-ブチルオキシ)-3a,4,7,7a-テトラヒドロインダン]
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: C36H48Br2O2
Molecular formula furigana: C36-H48-BR2-O2
Molecular weight: 672.586
InChI: InChI=1S/C36H48Br2O2/c1-35(2,3)39-33-19-17-27-23(9-7-11-29(27)33)13-15-25-21-26(32(38)22-31(25)37)16-14-24-10-8-12-30-28(24)18-20-34(30)40-36(4,5)6/h7-10,13-16,21-24,27-30,33-34H,11-12,17-20H2,1-6H3/b15-13-,16-14-/t23-,24-,27-,28-,29-,30-,33-,34-/m0/s1
InChI key: ZQJSYCAGKVEAKD-KSHQRAMFSA-N
SMILES: CC(C)(C)O[C@H]1CC[C@@H]2[C@@H]1CC=C[C@H]2/C=C\c1cc(/C=C\[C@@H]2C=CC[C@@H]3[C@H](CC[C@@H]23)OC(C)(C)C)c(Br)cc1Br
Systematic name  (3):
  • 4,4′-[(4,6-ジブロモ-1,3-フェニレン)ビス[(Z)-ビニレン]]ビス[(1S,3aS,4S,7aS)-1-(tert-ブチルオキシ)-3a,4,7,7a-テトラヒドロインダン]
  • (1S,3aS,4S,7aS)-4-[(1Z)-2-{5-[(1Z)-2-[(1S,3aS,4S,7aS)-1-(tert-ブトキシ)-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン-4-イル]エテニル]-2,4-ジブロモフェニル}エテニル]-1-(tert-ブトキシ)-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン
  • (1S,3aS,4S,7aS)-4-[(1Z)-2-{5-[(1Z)-2-[(1S,3aS,4S,7aS)-1-(tert-butoxy)-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-2,4-dibromophenyl}ethenyl]-1-(tert-butoxy)-2,3,3a,4,7,7a-hexahydro-1H-indene
Other name (1):
  • 4,4′-[(4,6-Dibromo-1,3-phenylene)bis[(Z)-vinylene]]bis[(1S,3aS,4S,7aS)-1-(tert-butyloxy)-3a,4,7,7a-tetrahydroindan]
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