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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Formula: C56H62O2Zr MolecularWeight: 858.31428

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

Isomeric SMILES

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

InChI

InChI=1S/2C28H31O.Zr/c2*1-3-5-6-7-10-21-13-15-22(16-14-21)26-12-8-11-23-19-24(20-27(23)26)28-18-17-25(29-28)9-4-2;/h2*8,11-20H,3-7,9-10H2,1-2H3;/q2*-1;+2