cyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) CAS Name: cyclopenta-1,3-diene; 2-methyl-4-penten-2-olate; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Formula: C23H38O3Zr MolecularWeight: 453.77002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].C1C=CC=[C-]1.[Zr+4]

Isomeric SMILES

CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].C1C=CC=[C-]1.[Zr+4]

InChI

InChI=1S/3C6H11O.C5H5.Zr/c3*1-4-5-6(2,3)7;1-2-4-5-3-1;/h3*4H,1,5H2,2-3H3;1-3H,4H2;/q4*-1;+4