oxidanidyl(oxidanylidene)titanium; (phenylmethyl)benzene; hydroxide

Systemtic Name: oxidanidyl(oxidanylidene)titanium; (phenylmethyl)benzene; hydroxide Openeye Name: benzylbenzene; oxido(oxo)titanium; hydroxide CAS Name: oxido(oxo)titanium; (phenylmethyl)benzene; hydroxide IUPAC Name: benzylbenzene; oxido(oxo)titanium; hydroxide Traditional Name: benzylbenzene; keto(oxido)titanium; hydroxide Formula: C52H45O3Ti-6 MolecularWeight: 765.7789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.[OH-].[O-][Ti]=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.C1=CC=C(C=C1)CC2=CC=CC=[C-]2.[OH-].[O-][Ti]=O

InChI

InChI=1S/4C13H11.H2O.2O.Ti/c4*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h4*1-9H,11H2;1H2;;;/q4*-1;;;-1;/p-1