1-cyclopenta-1,4-dien-1-yl-N,N-diethyl-1-phenyl-ethanamine; zirconium(2+); trichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-N,N-diethyl-1-phenyl-ethanamine; zirconium(2+); trichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-N,N-diethyl-1-phenyl-ethanamine; zirconium(2+); trichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-N,N-diethyl-1-phenylethanamine; zirconium(2+); trichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-N,N-diethyl-1-phenylethanamine; zirconium(2+); trichloride Traditional Name: (1-cyclopenta-1,4-dien-1-yl-1-phenyl-ethyl)-diethyl-amine; zirconium(2+); trichloride Formula: C17H22Cl3NZr-2 MolecularWeight: 437.94628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)(C1=CC=CC=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCN(CC)C(C)(C1=CC=CC=C1)C2=[C-]CC=C2.[Cl-].[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C17H22N.3ClH.Zr/c1-4-18(5-2)17(3,16-13-9-10-14-16)15-11-7-6-8-12-15;;;;/h6-9,11-13H,4-5,10H2,1-3H3;3*1H;/q-1;;;;+2/p-3