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

Systemtic Name: 1-[2-ethyl-3-[2-(2-ethyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Openeye Name: 1-[2-ethyl-3-[2-[2-ethyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride CAS Name: 1-[2-ethyl-3-[2-[2-ethyl-7-(1-naphthalenyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride IUPAC Name: 1-[2-ethyl-3-[2-(2-ethyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Traditional Name: 1-[2-ethyl-3-[2-[2-ethyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Formula: C44H36Cl2Zr MolecularWeight: 726.88664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H36.2ClH.Zr/c1-3-29-27-33-17-11-23-41(39-21-9-15-31-13-5-7-19-35(31)39)43(33)37(29)25-26-38-30(4-2)28-34-18-12-24-42(44(34)38)40-22-10-16-32-14-6-8-20-36(32)40;;;/h5-24,27-28H,3-4,25-26H2,1-2H3;2*1H;/q-2;;;+4/p-2