1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+)

Systemtic Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) Openeye Name: 2-allylphenolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) CAS Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) IUPAC Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) Traditional Name: 2-allylphenolate; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) Formula: C37H42O3Zr MolecularWeight: 625.95158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].[Zr+4]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].[Zr+4]

InChI

InChI=1S/C10H15.3C9H10O.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-2-5-8-6-3-4-7-9(8)10;/h1-5H3;3*2-4,6-7,10H,1,5H2;/q-1;;;;+4/p-3