cyclopentane; iron(2+); xanthen-9-one; hexafluorophosphate

Systemtic Name: cyclopentane; iron(2+); xanthen-9-one; hexafluorophosphate Openeye Name: ferrous; cyclopentane; xanthen-9-one; hexafluorophosphate CAS Name: cyclopentane; iron(2+); 9-xanthenone; hexafluorophosphate IUPAC Name: cyclopentane; iron(2+); xanthen-9-one; hexafluorophosphate Traditional Name: ferrous; cyclopentane; xanthone; hexafluorophosphate Formula: C18H13F6FeO2P+ MolecularWeight: 462.1038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C13H8O2.C5H5.F6P.Fe/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-8H;1-5H;;/q;;-1;+2