2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]-5-phenylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-thiophene; zirconium(4+); dichloride Formula: C58H38Cl2S2Zr MolecularWeight: 961.18232

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C(=CC=C2)C5=CC6=CC=CC=C6C=C5.[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C(=CC=C2)C5=CC6=CC=CC=C6C=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C(=CC=C2)C5=CC6=CC=CC=C6C=C5.[CH-]1C2=C(C=C1C3=CC=C(S3)C4=CC=CC=C4)C(=CC=C2)C5=CC6=CC=CC=C6C=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C29H19S.2ClH.Zr/c2*1-2-8-21(9-3-1)28-15-16-29(30-28)25-18-23-11-6-12-26(27(23)19-25)24-14-13-20-7-4-5-10-22(20)17-24;;;/h2*1-19H;2*1H;/q2*-1;;;+4/p-2