2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Formula: C40H46Cl2S2Zr MolecularWeight: 753.05324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H23S.2ClH.Zr/c2*1-5-7-16-10-11-19(21-16)15-12-14-8-6-9-18(17(14)13-15)20(2,3)4;;;/h2*6,8-13H,5,7H2,1-4H3;2*1H;/q2*-1;;;+4/p-2