2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+)

Systemtic Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Openeye Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) CAS Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) IUPAC Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Traditional Name: 2-phenyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Formula: C56H46O2Zr MolecularWeight: 842.18724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

InChI

InChI=1S/2C28H23O.Zr/c2*1-2-7-20-12-14-21(15-13-20)25-11-6-10-23-18-24(19-26(23)25)28-17-16-27(29-28)22-8-4-3-5-9-22;/h2*3-6,8-19H,2,7H2,1H3;/q2*-1;+2