cyclopentane; N,N-diethyl-2-phenylsulfanyl-benzamide; iron(2+); hexafluorophosphate

Systemtic Name: cyclopentane; N,N-diethyl-2-phenylsulfanyl-benzamide; iron(2+); hexafluorophosphate Openeye Name: ferrous; cyclopentane; N,N-diethyl-2-phenylsulfanyl-benzamide; hexafluorophosphate CAS Name: cyclopentane; N,N-diethyl-2-(phenylthio)benzamide; iron(2+); hexafluorophosphate IUPAC Name: cyclopentane; N,N-diethyl-2-phenylsulfanylbenzamide; iron(2+); hexafluorophosphate Traditional Name: ferrous; cyclopentane; N,N-diethyl-2-(phenylthio)benzamide; hexafluorophosphate Formula: C22H24F6FeNOPS+ MolecularWeight: 551.30624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=CC=C1SC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CCN(CC)C(=O)C1=CC=CC=C1SC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C17H19NOS.C5H5.F6P.Fe/c1-3-18(4-2)17(19)15-12-8-9-13-16(15)20-14-10-6-5-7-11-14;1-2-4-5-3-1;1-7(2,3,4,5)6;/h5-13H,3-4H2,1-2H3;1-5H;;/q;;-1;+2