1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propan-2-olate; zirconium(4+)

Systemtic Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propan-2-olate; zirconium(4+) Openeye Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propan-2-olate; zirconium(4+) CAS Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-propanolate; zirconium(4+) IUPAC Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propan-2-olate; zirconium(4+) Traditional Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; propan-2-olate; zirconium(4+) Formula: C19H36O3Zr MolecularWeight: 403.71134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]

InChI

InChI=1S/C10H15.3C3H7O.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-3(2)4;/h1-5H3;3*3H,1-2H3;/q4*-1;+4