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

Systemtic Name: 1-[2-methyl-7-[2-(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)ethyl]-3H-inden-3-id-1-yl]naphthalene; zirconium(2+) Openeye Name: 1-[2-methyl-7-[2-[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]naphthalene; zirconium(2+) CAS Name: 1-[2-methyl-7-[2-[2-methyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]naphthalene; zirconium(2+) IUPAC Name: 1-[2-methyl-7-[2-(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)ethyl]-3H-inden-3-id-1-yl]naphthalene; zirconium(2+) Traditional Name: 1-[2-methyl-7-[2-[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]ethyl]-3H-inden-3-id-1-yl]naphthalene; zirconium(2+) Formula: C42H32Zr MolecularWeight: 627.92748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2CCC3=CC=CC4=C3C(=C([CH-]4)C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2CCC3=CC=CC4=C3C(=C([CH-]4)C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Zr+2]

InChI

InChI=1S/C42H32.Zr/c1-27-25-33-17-7-15-31(41(33)39(27)37-21-9-13-29-11-3-5-19-35(29)37)23-24-32-16-8-18-34-26-28(2)40(42(32)34)38-22-10-14-30-12-4-6-20-36(30)38;/h3-22,25-26H,23-24H2,1-2H3;/q-2;+2