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

Systemtic Name: 1,2-dimethyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4-isopropyl-1,2-dihydroinden-2-id-1-yl)-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-(4-propan-2-yl-1,2-dihydroinden-2-id-1-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 2-(4-isopropyl-1,2-dihydroinden-2-id-1-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[C-]=CC3=C2C=CC=C3C(C)C.CC1=CC=C(N1C)C2[C-]=CC3=C2C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2[C-]=CC3=C2C=CC=C3C(C)C.CC1=CC=C(N1C)C2[C-]=CC3=C2C=CC=C3C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

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