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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 3-chloranylphenol; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 3-chlorophenol; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 3-chlorophenol; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 3-chlorophenol; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 3-chlorophenol; zirconium(2+) Formula: C30H36Cl2O2Zr MolecularWeight: 590.73564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr+2]

InChI

InChI=1S/2C9H13.2C6H5ClO.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*7-5-2-1-3-6(8)4-5;/h2*4,7H,2-3,5-6H2,1H3;2*1-4,8H;/q2*-1;;;+2