Catalog Number:
AG00GUXF
Chemical Name:
(5AR,10BS)-(+)-5A,10B-DIHYDRO-2-(PENTAFLUOROPHENYL)-4H,6H-INDENO[2,1-B][1,2,4]TRIZOLO[4,3-D][1,4]OXAZINIUM TETRAFLUOROBORATE
CAS Number:
872143-57-2
Molecular Formula:
C18H11BF9N3O
Molecular Weight:
467.0961
MDL Number:
MFCD08457666
IUPAC Name:
(1S,9R)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate
InChI:
InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m1./s1
InChI Key:
CPCMDOOTVHDRTM-CVJFODCESA-N
SMILES:
F[B-](F)(F)F.Fc1c([n+]2cn3c(n2)CO[C@H]2[C@@H]3c3ccccc3C2)c(F)c(c(c1F)F)F
