cyclopenta-1,3-diene; phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; phenol; zirconium(2+) Formula: C22H22O2Zr MolecularWeight: 409.63288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O.2C5H5.Zr/c2*7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h2*1-5,7H;2*1-3H,4H2;/q;;2*-1;+2