iron(3+); methanal; methyl-(4-methylcyclohexa-2,5-dien-1-ylidene)oxidanium; tetrahexafluorophosphate

Systemtic Name: iron(3+); methanal; methyl-(4-methylcyclohexa-2,5-dien-1-ylidene)oxidanium; tetrahexafluorophosphate Openeye Name: ferric; formaldehyde; methyl-(4-methylcyclohexa-2,5-dien-1-ylidene)oxonium; tetrahexafluorophosphate CAS Name: formaldehyde; iron(3+); methyl-(4-methyl-1-cyclohexa-2,5-dienylidene)oxonium; tetrahexafluorophosphate IUPAC Name: formaldehyde; iron(3+); methyl-(4-methylcyclohexa-2,5-dien-1-ylidene)oxidanium; tetrahexafluorophosphate Traditional Name: ferric; formaldehyde; methyl-(4-methylcyclohexa-2,5-dien-1-ylidene)oxonium; tetrahexafluorophosphate Formula: C11H17F24FeO4P4 MolecularWeight: 848.952001

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=[O+]C)C=C1.C=O.C=O.C=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

CC1C=CC(=[O+]C)C=C1.C=O.C=O.C=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/C8H11O.3CH2O.4F6P.Fe/c1-7-3-5-8(9-2)6-4-7;3*1-2;4*1-7(2,3,4,5)6;/h3-7H,1-2H3;3*1H2;;;;;/q+1;;;;4*-1;+3