2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Formula: C46H40Cl2N2Zr MolecularWeight: 782.9532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H20N.2ClH.Zr/c2*1-2-6-17-10-12-18(13-11-17)19-7-5-8-20-21(19)14-15-22(20)23-9-3-4-16-24-23;;;/h2*3-5,7-14,16,22H,2,6H2,1H3;2*1H;/q2*-1;;;+4/p-2