bis(oxidanidyl)-oxidanylidene-titanium; butane; butane; ethanol

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; butane; butane; ethanol Openeye Name: butane; butane; dioxido(oxo)titanium; ethanol CAS Name: butane; butane; dioxido(oxo)titanium; ethanol IUPAC Name: butane; butane; dioxido(oxo)titanium; ethanol Traditional Name: butane; ethanol; keto(dioxido)titanium; n-butane Formula: C18H43O4Ti-5 MolecularWeight: 371.39862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.CCC[CH2-].CCC[CH2-].[CH2-]CO.[O-][Ti](=O)[O-]

Isomeric SMILES

CCCC.CCCC.CCC[CH2-].CCC[CH2-].[CH2-]CO.[O-][Ti](=O)[O-]

InChI

InChI=1S/2C4H10.2C4H9.C2H5O.3O.Ti/c4*1-3-4-2;1-2-3;;;;/h2*3-4H2,1-2H3;2*1,3-4H2,2H3;3H,1-2H2;;;;/q;;3*-1;;2*-1;