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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 3-tert-butylphenol; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 3-tert-butylphenol; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 3-tert-butylphenol; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 3-tert-butylphenol; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 3-tert-butylphenol; zirconium(2+) Formula: C38H54O2Zr MolecularWeight: 634.05816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H14O.2C9H13.Zr/c2*1-10(2,3)8-5-4-6-9(11)7-8;2*1-2-3-6-9-7-4-5-8-9;/h2*4-7,11H,1-3H3;2*4,7H,2-3,5-6H2,1H3;/q;;2*-1;+2