N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+)

Systemtic Name: N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+) Openeye Name: N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+) CAS Name: N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+) IUPAC Name: N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+) Traditional Name: N,N-diethylcarbamate; 1-[1-(1H-inden-1-yl)ethyl]-1H-indene; zirconium(3+) Formula: C35H48N3O6Zr MolecularWeight: 697.99612

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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-].CC(C1C=CC2=CC=CC=C12)C3C=CC4=CC=CC=C34.[Zr+3]

Isomeric SMILES

CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CCN(CC)C(=O)[O-].CC(C1C=CC2=CC=CC=C12)C3C=CC4=CC=CC=C34.[Zr+3]

InChI

InChI=1S/C20H18.3C5H11NO2.Zr/c1-14(17-12-10-15-6-2-4-8-19(15)17)18-13-11-16-7-3-5-9-20(16)18;3*1-3-6(4-2)5(7)8;/h2-14,17-18H,1H3;3*3-4H2,1-2H3,(H,7,8);/q;;;;+3/p-3