iron(3+); methanal; 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate

Systemtic Name: iron(3+); methanal; 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate Openeye Name: ferric; formaldehyde; 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate CAS Name: formaldehyde; iron(3+); 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate IUPAC Name: formaldehyde; iron(3+); 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate Traditional Name: ferric; formaldehyde; 5-methylcyclohexa-1,3-diene; tetrahexafluorophosphate Formula: C10H15F24FeO3P4 MolecularWeight: 818.926021

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C[CH+]1.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=C[CH+]1.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/C7H9.3CH2O.4F6P.Fe/c1-7-5-3-2-4-6-7;3*1-2;4*1-7(2,3,4,5)6;/h2-7H,1H3;3*1H2;;;;;/q+1;;;;4*-1;+3