3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; propan-2-ylidenezirconium; dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; propan-2-ylidenezirconium; dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; isopropylidenezirconium; dichloride CAS Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; propan-2-ylidenezirconium; dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; propan-2-ylidenezirconium; dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; isopropylidenezirconium; dichloride Formula: C19H27Cl2OZr-3 MolecularWeight: 433.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Zr])C.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Zr])C.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C5H5.C3H6.2ClH.Zr/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-2-4-5-3-1;1-3-2;;;/h5-7,12H,1-4H3;1-3H,4H2;1-2H3;2*1H;/q;-1;;;;/p-2