tert-butylbenzene; oxidanidyl(oxidanylidene)alumane; titanium(4+)

Systemtic Name: tert-butylbenzene; oxidanidyl(oxidanylidene)alumane; titanium(4+) Openeye Name: tert-butylbenzene; oxido(oxo)alumane; titanium(4+) CAS Name: tert-butylbenzene; oxido(oxo)alumane; titanium(4+) IUPAC Name: tert-butylbenzene; oxido(oxo)alumane; titanium(4+) Traditional Name: tert-butylbenzene; keto(oxido)alumane; titanium(4+) Formula: C10H14Al4O8Ti MolecularWeight: 418.006512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[Ti+4]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[O-][Al]=O.[Ti+4]

InChI

InChI=1S/C10H14.4Al.8O.Ti/c1-10(2,3)9-7-5-4-6-8-9;;;;;;;;;;;;;/h4-8H,1-3H3;;;;;;;;;;;;;/q;;;;;;;;;4*-1;+4