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

Systemtic Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-phenylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-phenyl-thiophene; zirconium(4+); dichloride Formula: C42H34Cl2S2Zr MolecularWeight: 764.97936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(S3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H17S.2ClH.Zr/c2*1-2-15-9-6-10-17-13-18(14-19(15)17)21-12-11-20(22-21)16-7-4-3-5-8-16;;;/h2*3-14H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2