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

Systemtic Name: 2-ethyl-1-methyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-1-methyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-1-methyl-5-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-1-methyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-1-methyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C52H44Cl2N2Zr MolecularWeight: 859.04916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H22N.2ClH.Zr/c2*1-3-23-13-14-26(27(23)2)22-16-20-9-6-10-24(25(20)17-22)21-12-11-18-7-4-5-8-19(18)15-21;;;/h2*4-17H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2