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

Systemtic Name: 2-methylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) Openeye Name: 2-allylphenolate; 2-methylcyclopenta-1,3-diene; zirconium(4+) CAS Name: 2-methylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) IUPAC Name: 2-methylcyclopenta-1,3-diene; 2-prop-2-enylphenolate; zirconium(4+) Traditional Name: 2-allylphenolate; 2-methylcyclopenta-1,3-diene; zirconium(4+) Formula: C33H34O3Zr MolecularWeight: 569.84526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H10O.C6H7.Zr/c3*1-2-5-8-6-3-4-7-9(8)10;1-6-4-2-3-5-6;/h3*2-4,6-7,10H,1,5H2;2,4H,3H2,1H3;/q;;;-1;+4/p-3