1-[3-butyl-7-[2-(1-butyl-2-ethyl-3-naphthalen-1-yl-1H-inden-4-yl)propan-2-yl]-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)propan-2-yl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[3-butyl-7-[1-[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-1-methyl-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]propan-2-yl]-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)propan-2-yl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[3-butyl-7-[1-[1-butyl-2-ethyl-3-(1-naphthyl)-1H-inden-4-yl]-1-methyl-ethyl]-2-ethyl-3H-inden-1-yl]naphthalene; zirconium(2+) Formula: C53H54Zr MolecularWeight: 782.21986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC=C2C(C)(C)C3=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=C2C(C)(C)C3=CC=CC4=C3C(=C(C4CCC[CH2-])CC)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C53H54.Zr/c1-7-11-25-41-37(9-3)49(43-29-17-23-35-21-13-15-27-39(35)43)51-45(41)31-19-33-47(51)53(5,6)48-34-20-32-46-42(26-12-8-2)38(10-4)50(52(46)48)44-30-18-24-36-22-14-16-28-40(36)44;/h13-24,27-34,41-42H,1-2,7-12,25-26H2,3-6H3;/q-2;+2