cyclopenta-1,3-diene; 4-prop-2-enylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-prop-2-enylphenol; zirconium(2+) Openeye Name: 4-allylphenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 4-prop-2-enylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 4-prop-2-enylphenol; zirconium(2+) Traditional Name: 4-allylphenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C28H30O2Zr MolecularWeight: 489.7606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=C(C=C1)O.C=CCC1=CC=C(C=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

C=CCC1=CC=C(C=C1)O.C=CCC1=CC=C(C=C1)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C9H10O.2C5H5.Zr/c2*1-2-3-8-4-6-9(10)7-5-8;2*1-2-4-5-3-1;/h2*2,4-7,10H,1,3H2;2*1-3H,4H2;/q;;2*-1;+2