1-[2-ethyl-3-[(2-ethyl-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-ethyl-3-[(2-ethyl-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-ethyl-3-[[2-ethyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride CAS Name: 1-[2-ethyl-3-[[2-ethyl-7-(1-naphthalenyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride IUPAC Name: 1-[2-ethyl-3-[(2-ethyl-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-ethyl-3-[[2-ethyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]methyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Formula: C43H34Cl2Zr MolecularWeight: 712.86006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=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)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C43H34.2ClH.Zr/c1-3-28-25-32-17-11-23-38(36-21-9-15-30-13-5-7-19-34(30)36)42(32)40(28)27-41-29(4-2)26-33-18-12-24-39(43(33)41)37-22-10-16-31-14-6-8-20-35(31)37;;;/h5-26H,3-4,27H2,1-2H3;2*1H;/q-2;;;+4/p-2