cyclopenta-1,3-diene; 3-methylpentan-3-ol; zirconium(3+)

Systemtic Name: cyclopenta-1,3-diene; 3-methylpentan-3-ol; zirconium(3+) Openeye Name: cyclopenta-1,3-diene; 3-methylpentan-3-ol; zirconium(3+) CAS Name: cyclopenta-1,3-diene; 3-methyl-3-pentanol; zirconium(3+) IUPAC Name: cyclopenta-1,3-diene; 3-methylpentan-3-ol; zirconium(3+) Traditional Name: cyclopenta-1,3-diene; 3-methylpentan-3-ol; zirconium(3+) Formula: C16H23OZr MolecularWeight: 322.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C[CH2-])O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+3]

Isomeric SMILES

CCC(C)(C[CH2-])O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+3]

InChI

InChI=1S/C6H13O.2C5H5.Zr/c1-4-6(3,7)5-2;2*1-2-4-5-3-1;/h7H,1,4-5H2,2-3H3;2*1-3H,4H2;/q3*-1;+3