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

Systemtic Name: 1-[2-methyl-3-[(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Openeye Name: 1-[2-methyl-3-[[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride CAS Name: 1-[2-methyl-3-[[2-methyl-7-(1-naphthalenyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride IUPAC Name: 1-[2-methyl-3-[(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Traditional Name: 1-[2-methyl-3-[[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Formula: C41H30Cl2Zr MolecularWeight: 684.8069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43)CC5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43)CC5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C41H30.2ClH.Zr/c1-26-23-30-15-9-21-36(34-19-7-13-28-11-3-5-17-32(28)34)40(30)38(26)25-39-27(2)24-31-16-10-22-37(41(31)39)35-20-8-14-29-12-4-6-18-33(29)35;;;/h3-24H,25H2,1-2H3;2*1H;/q-2;;;+4/p-2