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

Systemtic Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Formula: C48H46Cl2S2Zr MolecularWeight: 849.13884

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H23S.2ClH.Zr/c2*1-3-6-21-13-14-24(25-21)20-15-19-7-5-8-22(23(19)16-20)18-11-9-17(4-2)10-12-18;;;/h2*5,7-16H,3-4,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2