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

Systemtic Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Openeye Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Traditional Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C56H46Cl2S2Zr MolecularWeight: 945.22444

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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)C5=CC=CC=C5.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C28H23S.2ClH.Zr/c2*1-2-7-20-12-14-21(15-13-20)25-11-6-10-23-18-24(19-26(23)25)28-17-16-27(29-28)22-8-4-3-5-9-22;;;/h2*3-6,8-19H,2,7H2,1H3;2*1H;/q2*-1;;;+4/p-2