Chem
J-GLOBAL ID：200907063036525527   Nikkaji number：J1.802.523J

2-(Trimethylsilyl)-4-[bromodiisopropoxytitanio(IV)methyl]-5-hexylbenzoic acid tert-butyl ester

2-(トリメチルシリル)-4-[ブロモジイソプロポキシチタニオ(IV)メチル]-5-ヘキシル安息香酸tert-ブチル
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： C27H49BrO4SiTi
Molecular formula furigana： C27-H49-BR-O4-SI-TI
Molecular weight： 593.541
InChI： InChI=1S/C21H35O2Si.2C3H7O.BrH.Ti/c1-9-10-11-12-13-17-15-18(20(22)23-21(3,4)5)19(14-16(17)2)24(6,7)8;2*1-3(2)4;;/h14-15H,2,9-13H2,1,3-8H3;2*3H,1-2H3;1H;/q;2*-1;;+3/p-1
InChI key： RRMKFMOKOGODTM-UHFFFAOYSA-M
SMILES： CCCCCCc1cc(C(=O)OC(C)(C)C)c(cc1C[Ti](Br)(OC(C)C)OC(C)C)[Si](C)(C)C
Systematic name  (3)：
  • 2-(トリメチルシリル)-4-[ブロモジイソプロポキシチタニオ(IV)メチル]-5-ヘキシル安息香酸tert-ブチル
  • ブロモ({4-[(tert-ブトキシ)カルボニル]-2-ヘキシル-5-(トリメチルシリル)フェニル}メチル)ビス(プロパン-2-イルオキシ)チタン
  • bromo({4-[(tert-butoxy)carbonyl]-2-hexyl-5-(trimethylsilyl)phenyl}methyl)bis(propan-2-yloxy)titanium
Other name (1)：
  • 2-(Trimethylsilyl)-4-[bromodiisopropoxytitanio(IV)methyl]-5-hexylbenzoic acid tert-butyl ester
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