3-chloranylphenol; 2-methylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 3-chloranylphenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Formula: C24H24Cl2O2Zr MolecularWeight: 506.57616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H5ClO.2C6H7.Zr/c2*7-5-2-1-3-6(8)4-5;2*1-6-4-2-3-5-6;/h2*1-4,8H;2*2,4H,3H2,1H3;/q;;2*-1;+2