cyclopentane; iron(2+); 2-(3-methylphenyl)-2-(phenylsulfonyl)hexanenitrile; hexafluorophosphate

Systemtic Name: cyclopentane; iron(2+); 2-(3-methylphenyl)-2-(phenylsulfonyl)hexanenitrile; hexafluorophosphate Openeye Name: ferrous; 2-(benzenesulfonyl)-2-(m-tolyl)hexanenitrile; cyclopentane; hexafluorophosphate CAS Name: 2-(benzenesulfonyl)-2-(3-methylphenyl)hexanenitrile; cyclopentane; iron(2+); hexafluorophosphate IUPAC Name: 2-(benzenesulfonyl)-2-(3-methylphenyl)hexanenitrile; cyclopentane; iron(2+); hexafluorophosphate Traditional Name: ferrous; 2-besyl-2-(m-tolyl)hexanenitrile; cyclopentane; hexafluorophosphate Formula: C24H26F6FeNO2PS+ MolecularWeight: 593.34292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CCCCC(C#N)(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C19H21NO2S.C5H5.F6P.Fe/c1-3-4-13-19(15-20,17-10-8-9-16(2)14-17)23(21,22)18-11-6-5-7-12-18;1-2-4-5-3-1;1-7(2,3,4,5)6;/h5-12,14H,3-4,13H2,1-2H3;1-5H;;/q;;-1;+2