3,3-dimethylbut-1-yne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate

Systemtic Name: 3,3-dimethylbut-1-yne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Openeye Name: 3,3-dimethylbut-1-yne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate CAS Name: 3,3-dimethyl-1-butyne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate IUPAC Name: 3,3-dimethylbut-1-yne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Traditional Name: 3,3-dimethylbut-1-yne; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+); hydrate Formula: C26H41OTi+2 MolecularWeight: 417.47014

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C#[C-].O.[Ti+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C#[C-].O.[Ti+3]

InChI

InChI=1S/2C10H15.C6H9.H2O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;1-5-6(2,3)4;;/h2*1-5H3;2-4H3;1H2;/q;;-1;;+3