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

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

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

Isomeric SMILES

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

InChI

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