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

Systemtic Name: 2-ethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(2+) Openeye Name: 2-ethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) CAS Name: 2-ethyl-5-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) IUPAC Name: 2-ethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(2+) Traditional Name: 2-ethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Formula: C50H38O2Zr MolecularWeight: 762.05952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Zr+2]

Isomeric SMILES

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Zr+2]

InChI

InChI=1S/2C25H19O.Zr/c2*1-2-20-13-14-25(26-20)19-15-18-9-6-12-23(24(18)16-19)22-11-5-8-17-7-3-4-10-21(17)22;/h2*3-16H,2H2,1H3;/q2*-1;+2