Catalog Number:
AG00C2QG
Chemical Name:
Fe(iii) octaethylporphine chloride
CAS Number:
28755-93-3
Molecular Formula:
C36H44ClFeN4
Molecular Weight:
624.0594
MDL Number:
MFCD00011614
IUPAC Name:
iron(3+);2,12,13,15,17,18,20,23-octaethyl-21H-porphyrin;trichloride
InChI:
InChI=1S/C36H46N4.3ClH.Fe/c1-9-22-19-25-20-23-17-18-24(37-23)21-32-26(10-2)29(13-5)36(40(32)16-8)31(15-7)35-28(12-4)27(11-3)34(39-35)30(14-6)33(22)38-25;;;;/h17-21,38H,9-16H2,1-8H3;3*1H;/q;;;;+3/p-3
InChI Key:
SHMMVGOWYAIRHR-UHFFFAOYSA-K
SMILES:
CCC1=C(CC)/C/2=C/c3c(CC)c(c4n3[Fe](n3/c(=C\C1=N2)/c(CC)c(/c/3=C/C1=N/C(=C\4)/C(=C1CC)CC)CC)Cl)CC
