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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(2+) CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(2+) Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(2+) Formula: C62H58O2Zr MolecularWeight: 926.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

InChI

InChI=1S/2C31H29O.Zr/c2*1-2-3-4-6-10-23-15-17-24(18-16-23)28-14-9-13-26-21-27(22-29(26)28)31-20-19-30(32-31)25-11-7-5-8-12-25;/h2*5,7-9,11-22H,2-4,6,10H2,1H3;/q2*-1;+2