μ-Oxo-bis(meso-tetra-p-methoxyphenylporphyrin)iron(III)

Catalog Number	ACM37191176
CAS	37191-17-6
Synonyms	Iron(III)meso-tetrakis(4-methoxyphenyl)porphine-μ-oxodimer
Molecular Weight	1593.34
Molecular Formula	C96H72Fe2N8O9
Canonical SMILES	COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[O-2].[Fe+3].[Fe+3]
InChI	InChI=1S/2C48H36N4O4.2Fe.O/c2*1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h2*5-28H,1-4H3;/q2*-2;2*+3;-2
InChI Key	LSQWPPKHANYWMA-UHFFFAOYSA-N
Purity	98%
Complexity	3140
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1593.415452
Heavy Atom Count	115
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1592.412097
Rotatable Bond Count	16
Topological Polar Surface Area	128 Ų