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

Systemtic Name: 2-ethyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C50H38Cl2S2Zr MolecularWeight: 865.09672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H19S.2ClH.Zr/c2*1-2-22-12-13-25(26-22)21-15-19-8-5-9-23(24(19)16-21)20-11-10-17-6-3-4-7-18(17)14-20;;;/h2*3-16H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2