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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; zirconium(4+); dichloride Formula: C54H56Cl2N2Zr MolecularWeight: 895.16584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H28N.2ClH.Zr/c2*1-3-4-5-6-8-21-12-14-22(15-13-21)25-10-7-9-23-17-24(18-26(23)25)27-16-11-20(2)19-28-27;;;/h2*7,9-19H,3-6,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2