dialuminum; butane; butane; ethane; oxidanylidenetitanium; hexahydroxide

Systemtic Name: dialuminum; butane; butane; ethane; oxidanylidenetitanium; hexahydroxide Openeye Name: dialuminum; butane; butane; ethane; oxotitanium; hexahydroxide CAS Name: dialuminum; butane; butane; ethane; oxotitanium; hexahydroxide IUPAC Name: dialuminum; butane; butane; ethane; oxotitanium; hexahydroxide Traditional Name: dialuminum; butane; ethane; ketotitanium; n-butane; hexahydroxide Formula: C66H165Al2O9Ti3-15 MolecularWeight: 1300.574976

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].O=[Ti].O=[Ti].O=[Ti].[Al+3].[Al+3]

Isomeric SMILES

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].O=[Ti].O=[Ti].O=[Ti].[Al+3].[Al+3]

InChI

InChI=1S/6C4H10.6C4H9.9C2H5.2Al.6H2O.3O.3Ti/c12*1-3-4-2;9*1-2;;;;;;;;;;;;;;/h6*3-4H2,1-2H3;6*1,3-4H2,2H3;9*1H2,2H3;;;6*1H2;;;;;;/q;;;;;;15*-1;2*+3;;;;;;;;;;;;/p-6