bis(oxidanidyl)-oxidanylidene-titanium; (phenylmethyl)benzene; (phenylmethyl)benzene

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; (phenylmethyl)benzene; (phenylmethyl)benzene Openeye Name: benzylbenzene; benzylbenzene; dioxido(oxo)titanium CAS Name: dioxido(oxo)titanium; (phenylmethyl)benzene; (phenylmethyl)benzene IUPAC Name: benzylbenzene; benzylbenzene; dioxido(oxo)titanium Traditional Name: benzylbenzene; benzylbenzene; keto(dioxido)titanium Formula: C52H45O3Ti-5 MolecularWeight: 765.7789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2.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.[O-][Ti](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2.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.[O-][Ti](=O)[O-]

InChI

InChI=1S/C13H12.3C13H11.3O.Ti/c4*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h1-10H,11H2;3*1-9H,11H2;;;;/q;3*-1;;2*-1;