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

Systemtic Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) CAS Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) Traditional Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Formula: C52H54O2Zr MolecularWeight: 802.20796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)CCC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)CCC.[Zr+2]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)CCC.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)CCC.[Zr+2]

InChI

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