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

Systemtic Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(4+); dichloride Openeye Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(4+); dichloride CAS Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(4+); dichloride Traditional Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(4+); dichloride Formula: C52H54Cl2O2Zr MolecularWeight: 873.11396

Click to see the large picture

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.[Cl-].[Cl-].[Zr+4]

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.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H27O.2ClH.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;2*1H;/q2*-1;;;+4/p-2