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

Systemtic Name: 4-chloranylphenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 4-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 4-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 4-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 4-chlorophenol; 2-methylcyclopenta-1,3-diene; zirconium(2+) Formula: C24H24Cl2O2Zr MolecularWeight: 506.57616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC(=CC=C1O)Cl.C1=CC(=CC=C1O)Cl.[Zr+2]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=CC(=CC=C1O)Cl.C1=CC(=CC=C1O)Cl.[Zr+2]

InChI

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