Catalog Number:
AG008FX6
Chemical Name:
Perchlorate ionophore I
CAS Number:
84896-72-0
Molecular Formula:
C44H28Cl3N4P
Molecular Weight:
750.0527
MDL Number:
MFCD06798162
IUPAC Name:
22,22-dichloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-phosphoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene;chloride
InChI:
InChI=1S/C44H28Cl2N4P.ClH/c45-51(46)49-37-25-26-38(49)43(31-17-9-3-10-18-31)35-23-24-36(48-35)44(32-19-11-4-12-20-32)40-28-27-39(50(40)51)42(30-15-7-2-8-16-30)34-22-21-33(47-34)41(37)29-13-5-1-6-14-29;/h1-28H;1H/q+1;/p-1
InChI Key:
XSEKVURIGRVPIT-UHFFFAOYSA-M
SMILES:
Cl[P+]1(Cl)n2c3ccc2C(=C2C=CC(=N2)C(=c2n1c(=C(C1=NC(=C3c3ccccc3)C=C1)c1ccccc1)cc2)c1ccccc1)c1ccccc1.[Cl-]
