1,2-bis(phenylsulfanyl)benzene; cyclopentane; iron; dihexafluorophosphate

Systemtic Name: 1,2-bis(phenylsulfanyl)benzene; cyclopentane; iron; dihexafluorophosphate Openeye Name: 1,2-bis(phenylsulfanyl)benzene; cyclopentane; iron; dihexafluorophosphate CAS Name: 1,2-bis(phenylthio)benzene; cyclopentane; iron; dihexafluorophosphate IUPAC Name: 1,2-bis(phenylsulfanyl)benzene; cyclopentane; iron; dihexafluorophosphate Traditional Name: 1,2-bis(phenylthio)benzene; cyclopentane; iron; dihexafluorophosphate Formula: C28H24F12Fe2P2S2-2 MolecularWeight: 826.23852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2SC3=CC=CC=C3.[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

C1=CC=C(C=C1)SC2=CC=CC=C2SC3=CC=CC=C3.[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/C18H14S2.2C5H5.2F6P.2Fe/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;2*1-2-4-5-3-1;2*1-7(2,3,4,5)6;;/h1-14H;2*1-5H;;;;/q;;;2*-1;;