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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3CC.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3CC.CCCC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3CC.[Cl-].[Cl-].[Zr+4]

InChI

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