Catalog Number:
AG000AWY
Chemical Name:
1-Pyrenehexanoic acid, 1-[[[hydroxy[2-[(2,4,6-trinitrophenyl)amino]ethoxy]phosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)- (9CI)
CAS Number:
114244-01-8
Molecular Formula:
C49H63N4O14P
Molecular Weight:
963.0167
IUPAC Name:
[(2R)-3-[hydroxy-[2-(2,4,6-trinitroanilino)ethoxy]phosphoryl]oxy-2-(6-pyren-1-ylhexanoyloxy)propyl] hexadecanoate
InChI:
InChI=1S/C49H63N4O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-45(54)64-34-41(35-66-68(62,63)65-31-30-50-49-43(52(58)59)32-40(51(56)57)33-44(49)53(60)61)67-46(55)23-17-14-15-19-36-24-25-39-27-26-37-20-18-21-38-28-29-42(36)48(39)47(37)38/h18,20-21,24-29,32-33,41,50H,2-17,19,22-23,30-31,34-35H2,1H3,(H,62,63)/t41-/m1/s1
InChI Key:
YYRYSPLQZHCVSJ-VQJSHJPSSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1)COP(=O)(OCCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O