cyclopentane; 1-[4-[6-[(4-ethanoylphenyl)amino]hexylamino]phenyl]ethanone; iron; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: cyclopentane; 1-[4-[6-[(4-ethanoylphenyl)amino]hexylamino]phenyl]ethanone; iron; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[4-[6-(4-acetylanilino)hexylamino]phenyl]ethanone; cyclopentane; iron; 2,2,2-trifluoroacetic acid CAS Name: 1-[4-[6-(4-acetylanilino)hexylamino]phenyl]ethanone; cyclopentane; iron; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[4-[6-(4-acetylanilino)hexylamino]phenyl]ethanone; cyclopentane; iron; 2,2,2-trifluoroacetic acid Traditional Name: 1-[4-[6-(4-acetylanilino)hexylamino]phenyl]ethanone; cyclopentane; iron; 2,2,2-trifluoroacetic acid Formula: C36H40F6Fe2N2O6 MolecularWeight: 822.393019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NCCCCCCNC2=CC=C(C=C2)C(=O)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Fe].[Fe]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NCCCCCCNC2=CC=C(C=C2)C(=O)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Fe].[Fe]

InChI

InChI=1S/C22H28N2O2.2C5H5.2C2HF3O2.2Fe/c1-17(25)19-7-11-21(12-8-19)23-15-5-3-4-6-16-24-22-13-9-20(10-14-22)18(2)26;2*1-2-4-5-3-1;2*3-2(4,5)1(6)7;;/h7-14,23-24H,3-6,15-16H2,1-2H3;2*1-5H;2*(H,6,7);;