(12A,18A)-5,6,12,12A,13,18,18A,19-OCTAHYDRO-5,6-DIMETHYL-13,18[1',2']-BENZENOBISBENZIMIDAZO[1,2-B:2',1'-D]BENZO[I][2.5]BENZODIAZOCINE POTASSIUM TRIFLATE ADDUCT

CAS No.
958004-04-1
CCD No.
CCD02499941
Formula
C34 H30 N4 . C F3 O3 S . K
MolWeight
682.805

Basic Information

Product Name: (12A,18A)-5,6,12,12A,13,18,18A,19-OCTAHYDRO-5,6-DIMETHYL-13,18[1',2']-BENZENOBISBENZIMIDAZO[1,2-B:2',1'-D]BENZO[I][2.5]BENZODIAZOCINE POTASSIUM TRIFLATE ADDUCT
CAS: 958004-04-1
English Synonyms: (12A,18A)-5,6,12,12A,13,18,18A,19-OCTAHYDRO-5,6-DIMETHYL-13,18[1',2']-BENZENOBISBENZIMIDAZO[1,2-B:2',1'-D]BENZO[I][2.5]BENZODIAZOCINE POTASSIUM TRIFLATE ADDUCT
MDL Number.: MFCD16038437
H bond acceptor: 4
H bond donor: 0
Smile: CN\1c2ccccc2N3/C1=C\4/N(c5ccccc5N4CC6C(C3)[C@H]7c8ccccc8[C@@H]6c9c7cccc9)C.C(F)(F)(F)S(=O)(=O)[O-].[K+]
InChi: InChI=1S/C34H30N4.CHF3O3S.K/c1-35-27-15-7-9-17-29(27)37-19-25-26(20-38-30-18-10-8-16-28(30)36(2)34(38)33(35)37)32-23-13-5-3-11-21(23)31(25)22-12-4-6-14-24(22)32;2-1(3,4)8(5,6)7;/h3-18,25-26,31-32H,19-20H2,1-2H3;(H,5,6,7);/q;;+1/p-1/b34-33-;;/t25?,26?,31-,32+;;
InChiKey: InChIKey=JRNNWGFVPCIMJJ-CWUYQOJISA-M

Property

Comments: AIR SENSITIVE
FORM: WHITE POWDER
SOLD UNDER LICENSE FROM UFRFI FOR RESEARCH PURPOSES ONLY. PATENT APPLICATION PCT/US2008/054137. NHC LIGAND KIT 4: BIS CARBENES KIT COMPONENT

Safety information

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