bis(oxidanidyl)-oxidanylidene-titanium; ethane-1,2-diol; propane; propane

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; ethane-1,2-diol; propane; propane Openeye Name: dioxido(oxo)titanium; ethane-1,2-diol; propane; propane CAS Name: dioxido(oxo)titanium; ethane-1,2-diol; propane; propane IUPAC Name: dioxido(oxo)titanium; ethane-1,2-diol; propane; propane Traditional Name: ethane-1,2-diol; keto(dioxido)titanium; n-propane; propane Formula: C14H35O5Ti-5 MolecularWeight: 331.2917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.CCC.C[CH-]C.C[CH-]C.C([CH-]O)O.[O-][Ti](=O)[O-]

Isomeric SMILES

CCC.CCC.C[CH-]C.C[CH-]C.C([CH-]O)O.[O-][Ti](=O)[O-]

InChI

InChI=1S/2C3H8.2C3H7.C2H5O2.3O.Ti/c4*1-3-2;3-1-2-4;;;;/h2*3H2,1-2H3;2*3H,1-2H3;1,3-4H,2H2;;;;/q;;3*-1;;2*-1;