(S,S)-Ethylenebis-(4,5,6,7-tetrahydro-1-indenyl)-zirconium(IV)-(S)-(1,1'-binaphthyl-2)

Catalog Number	ACM132881664-1
CAS	132881-66-4
Structure
IUPAC Name	1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1-[2-(4,5,6,7-tetrahydroinden-7a-id-1-yl)ethyl]-4,5,6,7-tetrahydroinden-1-ide;zirconium(2+)
Molecular Weight	639.95
Molecular Formula	C40H36O2Zr
InChI	InChI=1S/C20H14O2.C20H24.Zr/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;/h1-12,21-22H;9-12H,1-8,13-14H2;/q;-2;+2
InChI Key	CEECLOJSJJUIBZ-UHFFFAOYSA-N
Complexity	810
Exact Mass	640.191879 g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1CCC2=CC=C([C-]2C1)CC[C-]3C=CC4=C3CCCC4.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Zr+2]
Monoisotopic Mass	640.191879 g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5Ų