butane; propane; propane; titanium; hydrate

Systemtic Name: butane; propane; propane; titanium; hydrate Openeye Name: butane; propane; propane; titanium; hydrate CAS Name: butane; propane; propane; titanium; hydrate IUPAC Name: butane; propane; propane; titanium; hydrate Traditional Name: butane; n-propane; propane; titanium; hydrate Formula: C20H49OTi2-5 MolecularWeight: 401.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCC[CH2-].CCC[CH2-].C[CH-]C.C[CH-]C.C[CH-]C.O.[Ti].[Ti]

Isomeric SMILES

CCC.CCC[CH2-].CCC[CH2-].C[CH-]C.C[CH-]C.C[CH-]C.O.[Ti].[Ti]

InChI

InChI=1S/2C4H9.C3H8.3C3H7.H2O.2Ti/c2*1-3-4-2;4*1-3-2;;;/h2*1,3-4H2,2H3;3H2,1-2H3;3*3H,1-2H3;1H2;;/q2*-1;;3*-1;;;