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
H-Bond Acceptor
15
Heavy Atom Count
46
Monoisotopic Mass
793.107532
Rotatable Bond Count
8
Topological Polar Surface Area
162 Ų
