2-methylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+)

Systemtic Name: 2-methylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Openeye Name: 2-methylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) CAS Name: 2-methylcyclopenta-1,3-diene; 4-penten-2-olate; zirconium(4+) IUPAC Name: 2-methylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Traditional Name: 2-methylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Formula: C21H34O3Zr MolecularWeight: 425.71686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].[Zr+4]

Isomeric SMILES

CC1=[C-]CC=C1.CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].[Zr+4]

InChI

InChI=1S/C6H7.3C5H9O.Zr/c1-6-4-2-3-5-6;3*1-3-4-5(2)6;/h2,4H,3H2,1H3;3*3,5H,1,4H2,2H3;/q4*-1;+4