2,6-Diisopropylphenylimido neophylidenemolybdenum(VI) bis(trifluoromethanesulfonate)dimethoxyethane adduct

Catalog Number	ACM126949631-1
CAS	126949-63-1
Structure
Synonyms	1,2-Dimethoxyethane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);trifluoromethanesulfonate
IUPAC Name	1,2-dimethoxyethane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);trifluoromethanesulfonate;
Molecular Weight	791.7
Molecular Formula	C28H39F6MoNO8S2
Canonical SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo+2]=CC(C)(C)C2=CC=CC=C2.COCCOC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
InChI	InChI=1S/C12H17N.C10H12.C4H10O2.2CHF3O3S.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h5-9H,1-4H3;1,4-8H,2-3H3;3-4H2,1-2H3;2*(H,5,6,7);/q;+2/p-2
InChI Key	NLTJIWBSURFRCN-UHFFFAOYSA-L
Purity	98%
Appearance	Powder
Complexity	585
Covalently-Bonded Unit Count	4
Exact Mass	793.107532
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	0
Monoisotopic Mass	793.107532
Rotatable Bond Count	8
Topological Polar Surface Area	162 Ų