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

Systemtic Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; carbanide; zirconium(4+) Openeye Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; carbanide; zirconium(4+) CAS Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; carbanide; zirconium(4+) IUPAC Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; carbanide; zirconium(4+) Traditional Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; carbanide; zirconium(4+) Formula: C52H58N2Zr MolecularWeight: 802.25432

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C.[Zr+4]

InChI

InChI=1S/2C25H26N.2CH3.Zr/c2*1-4-5-7-19-11-13-20(14-12-19)23-9-6-8-21-16-22(17-24(21)23)25-15-10-18(2)26(25)3;;;/h2*6,8-17H,4-5,7H2,1-3H3;2*1H3;/q4*-1;+4