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

Systemtic Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C46H42Cl2S2Zr MolecularWeight: 821.08568

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H21S.2ClH.Zr/c2*1-3-5-20-12-13-23(24-20)19-14-18-6-4-7-21(22(18)15-19)17-10-8-16(2)9-11-17;;;/h2*4,6-15H,3,5H2,1-2H3;2*1H;/q2*-1;;;+4/p-2