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

Systemtic Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-ethyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Formula: C36H38Cl2S2Zr MolecularWeight: 696.94692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3CC.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3CC.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C18H19S.2ClH.Zr/c2*1-3-6-16-9-10-18(19-16)15-11-14-8-5-7-13(4-2)17(14)12-15;;;/h2*5,7-12H,3-4,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2