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

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Formula: C46H42Cl2S2Zr MolecularWeight: 821.08568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CC(C)(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CC(C)(C)C1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H21S.2ClH.Zr/c2*1-23(2,3)20-11-7-10-17-14-18(15-19(17)20)22-13-12-21(24-22)16-8-5-4-6-9-16;;;/h2*4-15H,1-3H3;2*1H;/q2*-1;;;+4/p-2