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

Systemtic Name: 2-ethyl-1-methyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Openeye Name: 2-ethyl-1-methyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 2-ethyl-1-methyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 2-ethyl-1-methyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Traditional Name: 2-ethyl-1-methyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C50H52Cl2N2Zr MolecularWeight: 843.09128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H26N.2ClH.Zr/c2*1-4-7-18-10-12-19(13-11-18)23-9-6-8-20-16-21(17-24(20)23)25-15-14-22(5-2)26(25)3;;;/h2*6,8-17H,4-5,7H2,1-3H3;2*1H;/q2*-1;;;+4/p-2