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

Systemtic Name: 2-(4-phenyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-(4-phenyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride CAS Name: 2-(4-phenyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride IUPAC Name: 2-(4-phenyl-1H-inden-1-id-2-yl)-5-propylthiophene; zirconium(4+); dichloride Traditional Name: 2-(4-phenyl-1H-inden-1-id-2-yl)-5-propyl-thiophene; zirconium(4+); dichloride Formula: C44H38Cl2S2Zr MolecularWeight: 793.03252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.CCCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H19S.2ClH.Zr/c2*1-2-7-19-12-13-22(23-19)18-14-17-10-6-11-20(21(17)15-18)16-8-4-3-5-9-16;;;/h2*3-6,8-15H,2,7H2,1H3;2*1H;/q2*-1;;;+4/p-2