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

Systemtic Name: 2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride CAS Name: 2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride IUPAC Name: 2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Formula: C50H34Cl2S2Zr MolecularWeight: 861.06496

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H17S.2ClH.Zr/c2*1-3-8-18(9-4-1)22-13-7-12-20-16-21(17-23(20)22)25-15-14-24(26-25)19-10-5-2-6-11-19;;;/h2*1-17H;2*1H;/q2*-1;;;+4/p-2