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

Systemtic Name: 1,2-dimethyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 1,2-dimethyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-[4-(2-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C50H40Cl2N2Zr MolecularWeight: 830.996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H20N.2ClH.Zr/c2*1-17-10-13-25(26(17)2)22-15-20-8-5-9-23(24(20)16-22)21-12-11-18-6-3-4-7-19(18)14-21;;;/h2*3-16H,1-2H3;2*1H;/q2*-1;;;+4/p-2