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

Systemtic Name: 2-ethyl-5-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-5-(4-ethyl-1H-inden-1-id-2-yl)-1-methylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-(4-ethyl-1H-inden-1-id-2-yl)-1-methylpyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-(4-ethyl-1H-inden-1-id-2-yl)-1-methyl-pyrrole; zirconium(4+); dichloride Formula: C36H40Cl2N2Zr MolecularWeight: 662.8462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)CC.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)CC.CCC1=CC=CC2=C1C=C([CH-]2)C3=CC=C(N3C)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C18H20N.2ClH.Zr/c2*1-4-13-7-6-8-14-11-15(12-17(13)14)18-10-9-16(5-2)19(18)3;;;/h2*6-12H,4-5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2