Chem
J-GLOBAL ID:200907050822938288   Nikkaji number:J1.247.152A

22,72,122-Tri-tert-butyl-171-(trifluoromethylsulfonyloxy)phthalocyanine

22,72,122-トリ-tert-ブチル-171-(トリフルオロメチルスルホニルオキシ)フタロシアニン
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: C45H41F3N8O3S
Molecular formula furigana: C45-H41-F3-N8-O3-S
Molecular weight: 830.930
InChI: InChI=1S/C45H41F3N8O3S/c1-42(2,3)22-13-16-25-29(19-22)38-49-34(25)51-39-31-21-24(44(7,8)9)15-18-27(31)36(53-39)55-41-33-28(11-10-12-32(33)59-60(57,58)45(46,47)48)37(56-41)54-40-30-20-23(43(4,5)6)14-17-26(30)35(50-38)52-40/h10-21H,1-9H3,(H2,49,50,51,52,53,54,55,56)
InChI key: MDHUHMBQKCMSBR-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)C(C)(C)C)c1c5c(OS(=O)(=O)C(F)(F)F)ccc1)c1c4cc(cc1)C(C)(C)C
Systematic name  (3):
  • 22,72,122-トリ-tert-ブチル-171-(トリフルオロメチルスルホニルオキシ)フタロシアニン
  • 15,24,33-トリ-tert-ブチル-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-ノナデカエン-5-イル トリフルオロメタンスルホナート
  • 15,24,33-tri-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaen-5-yl trifluoromethanesulfonate
Other name (1):
  • 22,72,122-Tri-tert-butyl-171-(trifluoromethylsulfonyloxy)phthalocyanine
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