Manganese(3+);2,12,13,15,17,18,20,23-octaethyl-21H-porphyrin;trichloride

Catalog Number	ACM28265170-3
CAS	28265-17-0
Structure
Synonyms	Manganese(III) octaethylporphine chloride
Molecular Weight	696.1
Molecular Formula	C36H46Cl3MnN4
Canonical SMILES	CCC1=CC2=CC3=NC(=CC4=C(C(=C(N4CC)C(=C5C(=C(C(=N5)C(=C1N2)CC)CC)CC)CC)CC)CC)C=C3.[Cl-].[Cl-].[Cl-].[Mn+3]
InChI	InChI=1S/C36H46N4.3ClH.Mn/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	ILUFJFALMAPUMG-UHFFFAOYSA-K
Purity	98%
Exact Mass	694.216849
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	694.216849
Rotatable Bond Count	8
Topological Polar Surface Area	46.5 Ų