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

Catalog Number ACM83417930-1
CAS 83417-93-0
Structure (S,S)-Ethylenebis-(4,5,6,7-tetrahydro-1-indenyl)-titanium(IV)-(S)-(1,1'-binaphthyl-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;
InChI Key OTLXQBDOYLJFNP-UHFFFAOYSA-N
Complexity 640
Exact Mass 598.2351211 g/mol
Formal Charge 0
Heavy Atom Count 43
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
Isomeric SMILES C1CC[C]2[C](C1)[CH][CH][C]2CC[C]3[CH][CH][C]4[C]3CCCC4.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Ti]
Monoisotopic Mass 598.2351211 g/mol
Rotatable Bond Count 3
Topological Polar Surface Area 40.5Ų

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