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

Systemtic Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Openeye Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)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)ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) IUPAC Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Traditional Name: 1-butyl-3-[2-(3-butyl-2-ethyl-7-phenyl-3H-inden-1-yl)ethyl]-2-ethyl-4-phenyl-1H-indene; zirconium(2+) Formula: C44H48Zr MolecularWeight: 668.07592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2C1CCC[CH2-])C3=CC=CC=C3)CCC4=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)CCC4=C(C(C5=CC=CC(=C54)C6=CC=CC=C6)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C44H48.Zr/c1-5-9-23-37-33(7-3)41(43-35(25-17-27-39(37)43)31-19-13-11-14-20-31)29-30-42-34(8-4)38(24-10-6-2)40-28-18-26-36(44(40)42)32-21-15-12-16-22-32;/h11-22,25-28,37-38H,1-2,5-10,23-24,29-30H2,3-4H3;/q-2;+2