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

Systemtic Name: N,N-diethylcarbamate; 2-methyl-1H-inden-1-ide; zirconium(2+) Openeye Name: N,N-diethylcarbamate; 2-methyl-1H-inden-1-ide; zirconium(2+) CAS Name: N,N-diethylcarbamate; 2-methyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: N,N-diethylcarbamate; 2-methyl-1H-inden-1-ide; zirconium(2+) Traditional Name: N,N-diethylcarbamate; 2-methyl-1H-inden-1-ide; zirconium(2+) Formula: C45H57N3O6Zr3 MolecularWeight: 1009.62258

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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-].CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C10H9.3C5H11NO2.3Zr/c3*1-8-6-9-4-2-3-5-10(9)7-8;3*1-3-6(4-2)5(7)8;;;/h3*2-7H,1H3;3*3-4H2,1-2H3,(H,7,8);;;/q3*-1;;;;3*+2/p-3