Chem
J-GLOBAL ID:200907008369097572   Nikkaji number:J2.073.194J

Bis(trifluoromethanesulfonic acid)[(4,10-dimethyl-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis-p-phenylene] ester

ビス(トリフルオロメタンスルホン酸)[(4,10-ジメチル-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン-2,8-ジイル)ビス-p-フェニレン]
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: C31H24F6N2O6S2
Molecular formula furigana: C31-H24-F6-N2-O6-S2
Molecular weight: 698.650
InChI: InChI=1S/C31H24F6N2O6S2/c1-18-11-22(20-3-7-26(8-4-20)44-46(40,41)30(32,33)34)13-24-15-39-17-38(28(18)24)16-25-14-23(12-19(2)29(25)39)21-5-9-27(10-6-21)45-47(42,43)31(35,36)37/h3-14H,15-17H2,1-2H3
InChI key: ZQYANZRQCNXSHF-UHFFFAOYSA-N
SMILES: Cc1cc(cc2CN3CN(Cc4cc(cc(C)c34)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)c12)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Systematic name  (3):
  • ビス(トリフルオロメタンスルホン酸)[(4,10-ジメチル-5,6,11,12-テトラヒドロ-5,11-メタノジベンゾ[b,f][1,5]ジアゾシン-2,8-ジイル)ビス-p-フェニレン]
  • 4-{3,11-ジメチル-13-[4-(トリフルオロメタンスルホニルオキシ)フェニル]-1,9-ジアザテトラシクロ[7.7.1.02,7.010,15]ヘプタデカ-2,4,6,10(15),11,13-ヘキサエン-5-イル}フェニル トリフルオロメタンスルホナート
  • 4-{3,11-dimethyl-13-[4-(trifluoromethanesulfonyloxy)phenyl]-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaen-5-yl}phenyl trifluoromethanesulfonate
Other name (1):
  • Bis(trifluoromethanesulfonic acid)[(4,10-dimethyl-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-diyl)bis-p-phenylene] ester
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