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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)CC.[Cl-].[Cl-].[Zr+4]

InChI

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