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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

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