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

Systemtic Name: 1,2-dimethyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Openeye Name: 1,2-dimethyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C48H48Cl2N2Zr MolecularWeight: 815.03812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C24H24N.2ClH.Zr/c2*1-4-6-18-10-12-19(13-11-18)22-8-5-7-20-15-21(16-23(20)22)24-14-9-17(2)25(24)3;;;/h2*5,7-16H,4,6H2,1-3H3;2*1H;/q2*-1;;;+4/p-2