2-propan-2-ylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 2-propan-2-ylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Openeye Name: 2-isopropylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium CAS Name: 2-propan-2-ylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 2-propan-2-ylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Traditional Name: 2-isopropylphenol; 1,2,3-trimethylcyclopenta-1,3-diene; zirconium Formula: C34H48O2Zr MolecularWeight: 579.96772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H12O.2C8H12.Zr/c2*1-7(2)8-5-3-4-6-9(8)10;2*1-6-4-5-7(2)8(6)3;/h2*3-7,10H,1-2H3;2*4H,5H2,1-3H3;