Catalog Number:
AG005OCN
Chemical Name:
7-Phenyl-5,6,8,9-tetrahydrodibenzo[c,h]xanthen-14-ium trifluoromethanesulfonate
CAS Number:
73377-38-5
Molecular Formula:
C28H21F3O4S
Molecular Weight:
510.5241
MDL Number:
MFCD00052981
IUPAC Name:
13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene;trifluoromethanesulfonate
InChI:
InChI=1S/C27H21O.CHF3O3S/c1-2-10-20(11-3-1)25-23-16-14-18-8-4-6-12-21(18)26(23)28-27-22-13-7-5-9-19(22)15-17-24(25)27;2-1(3,4)8(5,6)7/h1-13H,14-17H2;(H,5,6,7)/q+1;/p-1
InChI Key:
VZLXLZZSHJSCLZ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1c2CCc3c(c2[o+]c2c1CCc1c2cccc1)cccc3.[O-]S(=O)(=O)C(F)(F)F
