1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triethanoate

Systemtic Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triethanoate Openeye Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triacetate CAS Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triacetate IUPAC Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triacetate Traditional Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(2+); triacetate Formula: C36H54O6Ti3 MolecularWeight: 726.41136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C10H15.3C2H4O2.3Ti/c3*1-7-6-10(4,5)9(3)8(7)2;3*1-2(3)4;;;/h3*1-5H3;3*1H3,(H,3,4);;;/q3*-1;;;;3*+2/p-3