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

Systemtic Name: 2-ethyl-1-methyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-1-methyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-1-methyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-(4-isopropyl-1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C38H44Cl2N2Zr MolecularWeight: 690.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H22N.2ClH.Zr/c2*1-5-16-9-10-19(20(16)4)15-11-14-7-6-8-17(13(2)3)18(14)12-15;;;/h2*6-13H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2