4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Openeye Name: 4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium CAS Name: 4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Traditional Name: 4-tert-butylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Formula: C34H48O2Zr MolecularWeight: 579.96772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC1)C.CC1=CC(=CC1)C.CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.[Zr]

Isomeric SMILES

CC1=CC(=CC1)C.CC1=CC(=CC1)C.CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.[Zr]

InChI

InChI=1S/2C10H14O.2C7H10.Zr/c2*1-10(2,3)8-4-6-9(11)7-5-8;2*1-6-3-4-7(2)5-6;/h2*4-7,11H,1-3H3;2*3,5H,4H2,1-2H3;