1-methyl-2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 1-methyl-2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]-5-propylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-pyrrole; zirconium(4+); dichloride Formula: C54H48Cl2N2Zr MolecularWeight: 887.10232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H24N.2ClH.Zr/c2*1-3-8-22-15-16-27(28(22)2)21-17-20-11-7-14-25(26(20)18-21)24-13-6-10-19-9-4-5-12-23(19)24;;;/h2*4-7,9-18H,3,8H2,1-2H3;2*1H;/q2*-1;;;+4/p-2