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

Catalog Number ACM143063723-1
CAS 143063-72-3
Structure (R,R)-Ethylenebis-(4,5,6,7-tetrahydro-1-indenyl)-titanium(IV)-(R)-(1,1'-binaphthyl-2)
IUPAC Name 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1-[2-(4,5,6,7-tetrahydroinden-1-id-1-yl)ethyl]-4,5,6,7-tetrahydroinden-1-ide;titanium(2+)
Molecular Weight 596.30
Molecular Formula C40H36O2Ti
InChI InChI=1S/C20H14O2.C20H24.Ti/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 HVELRHJNGBYPPN-UHFFFAOYSA-N
Complexity 778
EC Number 634-326-5
Exact Mass 598.2351211 g/mol
Formal Charge 0
Heavy Atom Count 43
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
Isomeric SMILES C1CCC2=C(C1)C=C[C-]2CC[C-]3C=CC4=C3CCCC4.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Ti+2]
Monoisotopic Mass 598.2351211 g/mol
Rotatable Bond Count 0
Topological Polar Surface Area 40.5Ų

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