benzene; butane; butane; titanium; hydrate

Systemtic Name: benzene; butane; butane; titanium; hydrate Openeye Name: benzene; butane; butane; titanium; hydrate CAS Name: benzene; butane; butane; titanium; hydrate IUPAC Name: benzene; butane; butane; titanium; hydrate Traditional Name: benzene; butane; n-butane; titanium; hydrate Formula: C28H49OTi2-5 MolecularWeight: 497.42206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti]

Isomeric SMILES

CCCC.CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti]

InChI

InChI=1S/2C6H5.C4H10.3C4H9.H2O.2Ti/c2*1-2-4-6-5-3-1;4*1-3-4-2;;;/h2*1-5H;3-4H2,1-2H3;3*1,3-4H2,2H3;1H2;;/q2*-1;;3*-1;;;