Chem
J-GLOBAL ID：200907028879954853   Nikkaji number：J1.802.524H

2-(Trimethylsilyl)-4-[bromodiisopropoxytitanio(IV)methyl]-5-(3,7-dimethyl-6-octenyl)benzoic 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-(3,7-ジメチル-6-オクテニル)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： C31H55BrO4SiTi
Molecular formula furigana： C31-H55-BR-O4-SI-TI
Molecular weight： 647.633
InChI： InChI=1S/C25H41O2Si.2C3H7O.BrH.Ti/c1-18(2)12-11-13-19(3)14-15-21-17-22(24(26)27-25(5,6)7)23(16-20(21)4)28(8,9)10;2*1-3(2)4;;/h12,16-17,19H,4,11,13-15H2,1-3,5-10H3;2*3H,1-2H3;1H;/q;2*-1;;+3/p-1
InChI key： MVQUABHHUZWRQK-UHFFFAOYSA-M
SMILES： CC(C)O[Ti](Br)(Cc1cc(c(cc1CCC(C)CCC=C(C)C)C(=O)OC(C)(C)C)[Si](C)(C)C)OC(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-(3,7-ジメチル-6-オクテニル)安息香酸tert-ブチル
  • ブロモ({4-[(tert-ブトキシ)カルボニル]-2-(3,7-ジメチルオクタ-6-エン-1-イル)-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-(3,7-dimethyloct-6-en-1-yl)-5-(trimethylsilyl)phenyl}methyl)bis(propan-2-yloxy)titanium
Other name (1)：
  • 2-(Trimethylsilyl)-4-[bromodiisopropoxytitanio(IV)methyl]-5-(3,7-dimethyl-6-octenyl)benzoic acid tert-butyl ester
Thsaurus map：
Thesaurus Map

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