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

Systemtic Name: 2-[2-butyl-3-[2-(2-butyl-7-naphthalen-2-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Openeye Name: 2-[2-butyl-3-[2-[2-butyl-7-(2-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride CAS Name: 2-[2-butyl-3-[2-[2-butyl-7-(2-naphthalenyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride IUPAC Name: 2-[2-butyl-3-[2-(2-butyl-7-naphthalen-2-yl-3H-inden-3-id-1-yl)ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Traditional Name: 2-[2-butyl-3-[2-[2-butyl-7-(2-naphthyl)-3H-inden-3-id-1-yl]ethyl]-1H-inden-1-id-4-yl]naphthalene; zirconium(4+); dichloride Formula: C48H44Cl2Zr MolecularWeight: 782.99296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3)CCC5=C([CH-]C6=C5C(=CC=C6)C7=CC8=CC=CC=C8C=C7)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3)CCC5=C([CH-]C6=C5C(=CC=C6)C7=CC8=CC=CC=C8C=C7)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C48H44.2ClH.Zr/c1-3-5-13-37-31-41-19-11-21-43(39-25-23-33-15-7-9-17-35(33)29-39)47(41)45(37)27-28-46-38(14-6-4-2)32-42-20-12-22-44(48(42)46)40-26-24-34-16-8-10-18-36(34)30-40;;;/h7-12,15-26,29-32H,3-6,13-14,27-28H2,1-2H3;2*1H;/q-2;;;+4/p-2