2-methyl-3-[2-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)propan-2-yl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+)

Systemtic Name: 2-methyl-3-[2-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)propan-2-yl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+) Openeye Name: 2-methyl-3-[1-methyl-1-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)ethyl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2-methyl-3-[2-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)propan-2-yl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2-methyl-3-[2-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)propan-2-yl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+) Traditional Name: 2-methyl-3-[1-methyl-1-(2-methyl-4,7-diphenyl-3H-inden-3-id-1-yl)ethyl]-4,7-diphenyl-1H-inden-1-ide; zirconium(2+) Formula: C47H38Zr MolecularWeight: 694.02862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2[CH-]1)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C5=C([CH-]C6=C(C=CC(=C65)C7=CC=CC=C7)C8=CC=CC=C8)C.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2[CH-]1)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C5=C([CH-]C6=C(C=CC(=C65)C7=CC=CC=C7)C8=CC=CC=C8)C.[Zr+2]

InChI

InChI=1S/C47H38.Zr/c1-31-29-41-37(33-17-9-5-10-18-33)25-27-39(35-21-13-7-14-22-35)43(41)45(31)47(3,4)46-32(2)30-42-38(34-19-11-6-12-20-34)26-28-40(44(42)46)36-23-15-8-16-24-36;/h5-30H,1-4H3;/q-2;+2