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

Systemtic Name: 2-methyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride CAS Name: 2-methyl-5-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride Formula: C48H34Cl2O2Zr MolecularWeight: 804.91236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H17O.2ClH.Zr/c2*1-16-12-13-24(25-16)19-14-18-8-5-11-22(23(18)15-19)21-10-4-7-17-6-2-3-9-20(17)21;;;/h2*2-15H,1H3;2*1H;/q2*-1;;;+4/p-2