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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-thiophene; zirconium(4+); dichloride Formula: C56H62Cl2S2Zr MolecularWeight: 961.35148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CCC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CCC.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C28H31S.2ClH.Zr/c2*1-3-5-6-7-10-21-13-15-22(16-14-21)26-12-8-11-23-19-24(20-27(23)26)28-18-17-25(29-28)9-4-2;;;/h2*8,11-20H,3-7,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2