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

Systemtic Name: cyclopenta-1,3-diene; 3-methylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; m-cresol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3-methylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3-methylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; m-cresol; zirconium(2+) Formula: C24H26O2Zr MolecularWeight: 437.68604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O.2C5H5.Zr/c2*1-6-3-2-4-7(8)5-6;2*1-2-4-5-3-1;/h2*2-5,8H,1H3;2*1-3H,4H2;/q;;2*-1;+2