but-3-en-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+)

Systemtic Name: but-3-en-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+) Openeye Name: but-3-en-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+) CAS Name: 3-buten-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+) IUPAC Name: but-3-en-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+) Traditional Name: but-3-en-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(4+) Formula: C22H36O3Ti MolecularWeight: 396.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C=CCC[O-].C=CCC[O-].C=CCC[O-].[Ti+4]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C=CCC[O-].C=CCC[O-].C=CCC[O-].[Ti+4]

InChI

InChI=1S/C10H15.3C4H7O.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-2-3-4-5;/h1-5H3;3*2H,1,3-4H2;/q4*-1;+4