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

Systemtic Name: 1-[3-butyl-7-[2-(1-butyl-2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)ethyl]-2-methyl-3H-inden-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[3-butyl-7-[2-[1-butyl-2-methyl-3-(1-naphthyl)-1H-inden-4-yl]ethyl]-2-methyl-3H-inden-1-yl]naphthalene; zirconium(2+) CAS Name: 1-[3-butyl-7-[2-[1-butyl-2-methyl-3-(1-naphthalenyl)-1H-inden-4-yl]ethyl]-2-methyl-3H-inden-1-yl]naphthalene; zirconium(2+) IUPAC Name: 1-[3-butyl-7-[2-(1-butyl-2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)ethyl]-2-methyl-3H-inden-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[3-butyl-7-[2-[1-butyl-2-methyl-3-(1-naphthyl)-1H-inden-4-yl]ethyl]-2-methyl-3H-inden-1-yl]naphthalene; zirconium(2+) Formula: C50H48Zr MolecularWeight: 740.14012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1CCC[CH2-])C=CC=C2CCC3=CC=CC4=C3C(=C(C4CCC[CH2-])C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C1CCC[CH2-])C=CC=C2CCC3=CC=CC4=C3C(=C(C4CCC[CH2-])C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C50H48.Zr/c1-5-7-23-39-33(3)47(45-29-13-19-35-17-9-11-25-41(35)45)49-37(21-15-27-43(39)49)31-32-38-22-16-28-44-40(24-8-6-2)34(4)48(50(38)44)46-30-14-20-36-18-10-12-26-42(36)46;/h9-22,25-30,39-40H,1-2,5-8,23-24,31-32H2,3-4H3;/q-2;+2