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

Systemtic Name: 1,2-dimethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-(4-propan-2-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1H-inden-1-id-2-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Formula: C36H40Cl2N2Zr MolecularWeight: 662.8462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

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