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

Systemtic Name: 2-methyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-methyl-5-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)thiophene; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C48H34Cl2S2Zr MolecularWeight: 837.04356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CC1=CC=C(S1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H17S.2ClH.Zr/c2*1-16-9-12-24(25-16)21-14-19-7-4-8-22(23(19)15-21)20-11-10-17-5-2-3-6-18(17)13-20;;;/h2*2-15H,1H3;2*1H;/q2*-1;;;+4/p-2