Catalog Number:
AG002596
Chemical Name:
Acridinium, 9-[[4-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]phenoxy]carbonyl]-10-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
177332-37-5
Molecular Formula:
C29H23F3N2O9S
Molecular Weight:
632.5611
MDL Number:
MFCD00797661
IUPAC Name:
[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate
InChI:
InChI=1S/C28H23N2O6.CHF3O3S/c1-29-22-8-4-2-6-20(22)27(21-7-3-5-9-23(21)29)28(34)35-19-13-10-18(11-14-19)12-17-26(33)36-30-24(31)15-16-25(30)32;2-1(3,4)8(5,6)7/h2-11,13-14H,12,15-17H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
NFDRKKHKYOEOLR-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.O=C(ON1C(=O)CCC1=O)CCc1ccc(cc1)OC(=O)c1c2ccccc2[n+](c2c1cccc2)C
