μ-Oxo-bis(5,10,15,20-tetrakis(4-methoxyphenyl)porphinato manganese

Catalog Number	ACM154089642
CAS	154089-64-2
Synonyms	Manganese(3+);oxygen(2-);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
Molecular Weight	1591.5
Molecular Formula	C96H72Mn2N8O9
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].[Mn+3].[Mn+3]
InChI	InChI=1S/2C48H36N4O4.2Mn.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	DSDMDPNDNJOBRS-UHFFFAOYSA-N
Purity	98%
Complexity	3140
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1591.421667
Heavy Atom Count	115
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1590.418312
Rotatable Bond Count	16
Topological Polar Surface Area	128 Ų