2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: 2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: 2-tert-butylphenol; 1,2,4-trimethylcyclopenta-1,3-diene; zirconium Formula: C36H52O2Zr MolecularWeight: 608.02088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.CC(C)(C)C1=CC=CC=C1O.CC(C)(C)C1=CC=CC=C1O.[Zr]

Isomeric SMILES

CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.CC(C)(C)C1=CC=CC=C1O.CC(C)(C)C1=CC=CC=C1O.[Zr]

InChI

InChI=1S/2C10H14O.2C8H12.Zr/c2*1-10(2,3)8-6-4-5-7-9(8)11;2*1-6-4-7(2)8(3)5-6;/h2*4-7,11H,1-3H3;2*4H,5H2,1-3H3;