Manganese(3+);3-[[(1S,2S)-2-[[3-oxido-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-olate;acetate

Catalog Number	ACM158052187-2
CAS	158052-18-7
Structure
Synonyms	(1S,2S)-N,N'-Bis((R)-2-hydroxy-2'-phenyl-1,1'-binaphthyl-3-ylmethylene)-1,2-diphenylethylenediaminatomanganese(III)acid
Molecular Weight	1037.1
Molecular Formula	C70H49MnN2O4
Canonical SMILES	CC(=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=C2)C4=C(C(=CC5=CC=CC=C54)C=NC(C6=CC=CC=C6)C(C7=CC=CC=C7)N=CC8=CC9=CC=CC=C9C(=C8[O-])C1=C(C=CC2=CC=CC=C21)C1=CC=CC=C1)[O-].[Mn+3]
InChI	InChI=1S/C68H48N2O2.C2H4O2.Mn/c71-67-53(41-51-31-15-19-35-57(51)63(67)61-55-33-17-13-25-47(55)37-39-59(61)45-21-5-1-6-22-45)43-69-65(49-27-9-3-10-28-49)66(50-29-11-4-12-30-50)70-44-54-42-52-32-16-20-36-58(52)64(68(54)72)62-56-34-18-14-26-48(56)38-40-60(62)46-23-7-2-8-24-46;1-2(3)4;/h1-44,65-66,71-72H;1H3,(H,3,4);/q;+3/p-3/t65-,66-;/m0./s1
InChI Key	KXEXRGSEABDUME-XKCBYAASSA-K
Purity	89%
Exact Mass	1036.307276
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=C2)C4=C(C(=CC5=CC=CC=C54)C=N[C@@H](C6=CC=CC=C6)[C@H](C7=CC=CC=C7)N=CC8=CC9=CC=CC=C9C(=C8[O-])C1=C(C=CC2=CC=CC=C21)C1=CC=CC=C1)[O-].[Mn+3]
Monoisotopic Mass	1036.307276
Rotatable Bond Count	11
Topological Polar Surface Area	111 Ų