2-butylcyclopenta-1,3-diene; 4-chloranylphenol; zirconium

Systemtic Name: 2-butylcyclopenta-1,3-diene; 4-chloranylphenol; zirconium Openeye Name: 2-butylcyclopenta-1,3-diene; 4-chlorophenol; zirconium CAS Name: 2-butylcyclopenta-1,3-diene; 4-chlorophenol; zirconium IUPAC Name: 2-butylcyclopenta-1,3-diene; 4-chlorophenol; zirconium Traditional Name: 2-butylcyclopenta-1,3-diene; 4-chlorophenol; zirconium Formula: C21H23Cl2O2Zr- MolecularWeight: 469.53612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.C1=CC(=CC=C1O)Cl.C1=CC(=CC=C1O)Cl.[Zr]

Isomeric SMILES

CCCCC1=[C-]CC=C1.C1=CC(=CC=C1O)Cl.C1=CC(=CC=C1O)Cl.[Zr]

InChI

InChI=1S/C9H13.2C6H5ClO.Zr/c1-2-3-6-9-7-4-5-8-9;2*7-5-1-3-6(8)4-2-5;/h4,7H,2-3,5-6H2,1H3;2*1-4,8H;/q-1;;;