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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-furan; zirconium(2+) CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran; zirconium(2+) Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-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=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.[Zr+2]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)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)24-10-7-9-22-17-23(18-25(22)24)26-16-11-19(2)27-26;/h2*7,9-18H,3-6,8H2,1-2H3;/q2*-1;+2