2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-p-cumenyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Formula: C50H50Cl2S2Zr MolecularWeight: 877.192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H25S.2ClH.Zr/c2*1-4-6-22-13-14-25(26-22)21-15-20-7-5-8-23(24(20)16-21)19-11-9-18(10-12-19)17(2)3;;;/h2*5,7-17H,4,6H2,1-3H3;2*1H;/q2*-1;;;+4/p-2