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

Systemtic Name: 1-[2-methyl-3-[2-(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(2+) Openeye Name: 1-[2-methyl-3-[2-[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(2+) CAS Name: 1-[2-methyl-3-[2-[2-methyl-7-(1-naphthalenyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(2+) IUPAC Name: 1-[2-methyl-3-[2-(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(2+) Traditional Name: 1-[2-methyl-3-[2-[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-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=C2C3=CC=CC4=CC=CC=C43)CCC5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)C.[Zr+2]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43)CCC5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)C.[Zr+2]

InChI

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