N,N'-bis(3-methylphenyl)butane-1,4-diamine; cyclopentane; iron; dihexafluorophosphate

Systemtic Name: N,N'-bis(3-methylphenyl)butane-1,4-diamine; cyclopentane; iron; dihexafluorophosphate Openeye Name: N,N'-bis(m-tolyl)butane-1,4-diamine; cyclopentane; iron; dihexafluorophosphate CAS Name: N,N'-bis(3-methylphenyl)butane-1,4-diamine; cyclopentane; iron; dihexafluorophosphate IUPAC Name: N,N'-bis(3-methylphenyl)butane-1,4-diamine; cyclopentane; iron; dihexafluorophosphate Traditional Name: cyclopentane; iron; 4-(m-toluidino)butyl-(m-tolyl)amine; dihexafluorophosphate Formula: C28H34F12Fe2N2P2-2 MolecularWeight: 800.20132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCCCCNC2=CC=CC(=C2)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe].[Fe]

Isomeric SMILES

CC1=CC(=CC=C1)NCCCCNC2=CC=CC(=C2)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe].[Fe]

InChI

InChI=1S/C18H24N2.2C5H5.2F6P.2Fe/c1-15-7-5-9-17(13-15)19-11-3-4-12-20-18-10-6-8-16(2)14-18;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3;2*1-5H;;;;/q;;;2*-1;;