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

Systemtic Name: 1-[3-butyl-7-[2-(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[3-butyl-7-[2-[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) CAS Name: 1-[3-butyl-7-[2-[1-butyl-2-ethyl-3-(1-naphthalenyl)-1H-inden-4-yl]ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) IUPAC Name: 1-[3-butyl-7-[2-(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[3-butyl-7-[2-[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Formula: C52H52Zr MolecularWeight: 768.19328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2CCC3=CC=CC4=C3C(=C(C4CCC[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2CCC3=CC=CC4=C3C(=C(C4CCC[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C52H52.Zr/c1-5-9-25-43-39(7-3)51(45-29-15-21-35-19-11-13-27-41(35)45)49-37(23-17-31-47(43)49)33-34-38-24-18-32-48-44(26-10-6-2)40(8-4)52(50(38)48)46-30-16-22-36-20-12-14-28-42(36)46;/h11-24,27-32,43-44H,1-2,5-10,25-26,33-34H2,3-4H3;/q-2;+2