benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate

Systemtic Name: benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate Openeye Name: benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate CAS Name: benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate IUPAC Name: benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate Traditional Name: benzene; 2-methylpropane; propane; titanium; titanium(2+); hydrate Formula: C26H44OTi2-4 MolecularWeight: 468.36096

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.C[C-](C)C.C[C-](C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti+2]

Isomeric SMILES

C[CH-]C.C[CH-]C.C[C-](C)C.C[C-](C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti+2]

InChI

InChI=1S/2C6H5.2C4H9.2C3H7.H2O.2Ti/c2*1-2-4-6-5-3-1;2*1-4(2)3;2*1-3-2;;;/h2*1-5H;2*1-3H3;2*3H,1-2H3;1H2;;/q6*-1;;;+2