cyclopenta-1,3-diene; 2-methyl-6-prop-2-enyl-phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-methyl-6-prop-2-enyl-phenol; zirconium(2+) Openeye Name: 2-allyl-6-methyl-phenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-methyl-6-prop-2-enylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-methyl-6-prop-2-enylphenol; zirconium(2+) Traditional Name: 2-allyl-6-methyl-phenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C30H34O2Zr MolecularWeight: 517.81376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC=C)O.CC1=C(C(=CC=C1)CC=C)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC1=C(C(=CC=C1)CC=C)O.CC1=C(C(=CC=C1)CC=C)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C10H12O.2C5H5.Zr/c2*1-3-5-9-7-4-6-8(2)10(9)11;2*1-2-4-5-3-1;/h2*3-4,6-7,11H,1,5H2,2H3;2*1-3H,4H2;/q;;2*-1;+2