dialuminum; bis(oxidanidyl)-oxidanylidene-titanium; butane; butane; ethane

Systemtic Name: dialuminum; bis(oxidanidyl)-oxidanylidene-titanium; butane; butane; ethane Openeye Name: dialuminum; butane; butane; dioxido(oxo)titanium; ethane CAS Name: dialuminum; butane; butane; dioxido(oxo)titanium; ethane IUPAC Name: dialuminum; butane; butane; dioxido(oxo)titanium; ethane Traditional Name: dialuminum; butane; ethane; keto(dioxido)titanium; n-butane Formula: C66H165Al2O9Ti3-9 MolecularWeight: 1300.574976

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.CCCC.CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.CCCC.CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[O-][Ti](=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C4H10.9C4H9.9C2H6.2Al.9O.3Ti/c12*1-3-4-2;9*1-2;;;;;;;;;;;;;;/h3*3-4H2,1-2H3;9*1,3-4H2,2H3;9*1-2H3;;;;;;;;;;;;;;/q;;;9*-1;;;;;;;;;;2*+3;;;;6*-1;;;