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

Systemtic Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-thiophene; zirconium(4+); dichloride Openeye Name: 2-phenyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride CAS Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenylthiophene; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenylthiophene; zirconium(4+); dichloride Traditional Name: 2-phenyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]thiophene; zirconium(4+); dichloride Formula: C52H38Cl2S2Zr MolecularWeight: 889.11812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(S4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H19S.2ClH.Zr/c2*1-18-10-12-19(13-11-18)23-9-5-8-21-16-22(17-24(21)23)26-15-14-25(27-26)20-6-3-2-4-7-20;;;/h2*2-17H,1H3;2*1H;/q2*-1;;;+4/p-2