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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

InChI

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