4-(1H-inden-1-yl)-2,6-dimethyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 4-(1H-inden-1-yl)-2,6-dimethyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 4-(1H-inden-1-yl)-2,6-dimethyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 4-(1H-inden-1-yl)-2,6-dimethylcyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 4-(1H-inden-1-yl)-2,6-dimethylcyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 4-(1H-inden-1-yl)-2,6-dimethyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C36H30Cl2N2Zr MolecularWeight: 652.7668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=NC(=C2)C)C3C=CC4=CC=CC=C34.CC1=CC(=C2C1=NC(=C2)C)C3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC(=C2C1=NC(=C2)C)C3C=CC4=CC=CC=C34.CC1=CC(=C2C1=NC(=C2)C)C3C=CC4=CC=CC=C34.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C18H15N.2ClH.Zr/c2*1-11-9-16(17-10-12(2)19-18(11)17)15-8-7-13-5-3-4-6-14(13)15;;;/h2*3-10,15H,1-2H3;2*1H;/q;;;;+2/p-2