cyclopenta-1,3-diene; 1-(3,5-ditert-butylcyclopenta-1,4-dien-1-yl)-2-methoxy-benzene; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-(3,5-ditert-butylcyclopenta-1,4-dien-1-yl)-2-methoxy-benzene; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 1-(3,5-ditert-butylcyclopenta-1,4-dien-1-yl)-2-methoxy-benzene; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 1-(3,5-ditert-butyl-1-cyclopenta-1,4-dienyl)-2-methoxybenzene; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 1-(3,5-ditert-butylcyclopenta-1,4-dien-1-yl)-2-methoxybenzene; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 1-(3,5-ditert-butylcyclopenta-1,4-dien-1-yl)-2-methoxy-benzene; zirconium(2+) Formula: C25H32OZr MolecularWeight: 439.74498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C=C(C(=[C-]1)C2=CC=CC=C2OC)C(C)(C)C.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC(C)(C)C1C=C(C(=[C-]1)C2=CC=CC=C2OC)C(C)(C)C.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/C20H27O.C5H5.Zr/c1-19(2,3)14-12-16(17(13-14)20(4,5)6)15-10-8-9-11-18(15)21-7;1-2-4-5-3-1;/h8-11,13-14H,1-7H3;1-3H,4H2;/q2*-1;+2