2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+)

Systemtic Name: 2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) CAS Name: 2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylfuran; zirconium(2+) Traditional Name: 2-[4-(4-hexylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) Formula: C52H54O2Zr MolecularWeight: 802.20796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCCCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Zr+2]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCCCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Zr+2]

InChI

InChI=1S/2C26H27O.Zr/c2*1-3-4-5-6-8-20-12-14-21(15-13-20)22-9-7-10-23-24(22)16-17-25(23)26-18-11-19(2)27-26;/h2*7,9-16,18,25H,3-6,8H2,1-2H3;/q2*-1;+2