cyclopenta-1,3-diene; 2-(1,2-diphenylethenyl)-4-methyl-1,1-diphenyl-pent-3-en-1-ol; zirconium

Systemtic Name: cyclopenta-1,3-diene; 2-(1,2-diphenylethenyl)-4-methyl-1,1-diphenyl-pent-3-en-1-ol; zirconium Openeye Name: cyclopenta-1,3-diene; 2-(1,2-diphenylvinyl)-4-methyl-1,1-diphenyl-pent-3-en-1-ol; zirconium CAS Name: cyclopenta-1,3-diene; 2-(1,2-diphenylethenyl)-4-methyl-1,1-diphenyl-3-penten-1-ol; zirconium IUPAC Name: cyclopenta-1,3-diene; 2-(1,2-diphenylethenyl)-4-methyl-1,1-diphenylpent-3-en-1-ol; zirconium Traditional Name: cyclopenta-1,3-diene; 2-(1,2-diphenylvinyl)-4-methyl-1,1-diphenyl-pent-3-en-1-ol; zirconium Formula: C42H39OZr-3 MolecularWeight: 650.98246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(=[C-]C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

Isomeric SMILES

CC(=CC(C(=[C-]C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr]

InChI

InChI=1S/C32H29O.2C5H5.Zr/c1-25(2)23-31(30(27-17-9-4-10-18-27)24-26-15-7-3-8-16-26)32(33,28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-5-3-1;/h3-23,31,33H,1-2H3;2*1-5H;/q3*-1;