benzene; butane; carbanide; titanium; titanium(2+); hydrate

Systemtic Name: benzene; butane; carbanide; titanium; titanium(2+); hydrate Openeye Name: benzene; butane; carbanide; titanium; titanium(2+); hydrate CAS Name: benzene; butane; carbanide; titanium; titanium(2+); hydrate IUPAC Name: benzene; butane; carbanide; titanium; titanium(2+); hydrate Traditional Name: benzene; butane; carbanide; titanium; titanium(2+); hydrate Formula: C22H36OTi2-4 MolecularWeight: 412.25464

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCC[CH2-].CCC[CH2-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti+2]

Isomeric SMILES

[CH3-].[CH3-].CCC[CH2-].CCC[CH2-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.O.[Ti].[Ti+2]

InChI

InChI=1S/2C6H5.2C4H9.2CH3.H2O.2Ti/c2*1-2-4-6-5-3-1;2*1-3-4-2;;;;;/h2*1-5H;2*1,3-4H2,2H3;2*1H3;1H2;;/q6*-1;;;+2