benzene; 2-methylpropane; 2-methylpropane; titanium; hydrate

Systemtic Name: benzene; 2-methylpropane; 2-methylpropane; titanium; hydrate Openeye Name: benzene; isobutane; 2-methylpropane; titanium; hydrate CAS Name: benzene; 2-methylpropane; 2-methylpropane; titanium; hydrate IUPAC Name: benzene; 2-methylpropane; 2-methylpropane; titanium; hydrate Traditional Name: benzene; isobutane; 2-methylpropane; titanium; hydrate Formula: C28H49OTi2-5 MolecularWeight: 497.42206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti]

Isomeric SMILES

CC(C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.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*1-4(2)3;;;/h2*1-5H;4H,1-3H3;3*1-3H3;1H2;;/q2*-1;;3*-1;;;