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

Systemtic Name: butan-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Openeye Name: butan-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) CAS Name: 1-butanolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) IUPAC Name: butan-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Traditional Name: butan-1-olate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium(3+) Formula: C22H42O3Ti- MolecularWeight: 402.43408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[O-].CCCC[O-].CCCC[O-].CC1=[C-]C(C(=C1C)C)(C)C.[Ti+3]

Isomeric SMILES

CCCC[O-].CCCC[O-].CCCC[O-].CC1=[C-]C(C(=C1C)C)(C)C.[Ti+3]

InChI

InChI=1S/C10H15.3C4H9O.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-2-3-4-5;/h1-5H3;3*2-4H2,1H3;/q4*-1;+3