N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+)

Systemtic Name: N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+) Openeye Name: N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+) CAS Name: N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+) IUPAC Name: N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+) Traditional Name: N,N-diethylcarbamate; 1H-inden-1-ide; zirconium(2+) Formula: C42H51N3O6Zr3 MolecularWeight: 967.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C9H7.3C5H11NO2.3Zr/c3*1-2-5-9-7-3-6-8(9)4-1;3*1-3-6(4-2)5(7)8;;;/h3*1-7H;3*3-4H2,1-2H3,(H,7,8);;;/q3*-1;;;;3*+2/p-3