1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)propan-2-yl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+)

Systemtic Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)propan-2-yl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Openeye Name: 1-butyl-3-[1-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-1-methyl-ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) CAS Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)propan-2-yl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) IUPAC Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)propan-2-yl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Traditional Name: 1-butyl-3-[1-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)-1-methyl-ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Formula: C45H50Zr MolecularWeight: 682.1025

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2C1CCC[CH2-])C3=CC=CC=C3)C(C)(C)C4=C(C(C5=CC=CC(=C54)C6=CC=CC=C6)CCC[CH2-])CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2C1CCC[CH2-])C3=CC=CC=C3)C(C)(C)C4=C(C(C5=CC=CC(=C54)C6=CC=CC=C6)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C45H50.Zr/c1-7-11-25-37-33(9-3)43(41-35(27-19-29-39(37)41)31-21-15-13-16-22-31)45(5,6)44-34(10-4)38(26-12-8-2)40-30-20-28-36(42(40)44)32-23-17-14-18-24-32;/h13-24,27-30,37-38H,1-2,7-12,25-26H2,3-6H3;/q-2;+2