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

Systemtic Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; zirconium(4+); dichloride Formula: C46H44Cl2N2Zr MolecularWeight: 786.98496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H22N.2ClH.Zr/c2*1-4-17-9-11-18(12-10-17)21-7-5-6-19-14-20(15-22(19)21)23-13-8-16(2)24(23)3;;;/h2*5-15H,4H2,1-3H3;2*1H;/q2*-1;;;+4/p-2