iron(2+); methanal; 1-(3-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one; hexafluorophosphate

Systemtic Name: iron(2+); methanal; 1-(3-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one; hexafluorophosphate Openeye Name: ferrous; formaldehyde; 1-(3-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one; hexafluorophosphate CAS Name: formaldehyde; iron(2+); 1-(3-methyl-1-cyclopenta-2,4-dienyl)-2-propen-1-one; hexafluorophosphate IUPAC Name: formaldehyde; iron(2+); 1-(3-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one; hexafluorophosphate Traditional Name: ferrous; formaldehyde; 1-(3-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one; hexafluorophosphate Formula: C12H15F6FeO4P MolecularWeight: 424.05428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C-](C=C1)C(=O)C=C.C=O.C=O.C=O.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CC1=C[C-](C=C1)C(=O)C=C.C=O.C=O.C=O.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C9H9O.3CH2O.F6P.Fe/c1-3-9(10)8-5-4-7(2)6-8;3*1-2;1-7(2,3,4,5)6;/h3-6H,1H2,2H3;3*1H2;;/q-1;;;;-1;+2