cyclohexa-1,3-diene; iron(3+); methanal; tetratetrafluoroborate

Systemtic Name: cyclohexa-1,3-diene; iron(3+); methanal; tetratetrafluoroborate Openeye Name: ferric; cyclohexa-1,3-diene; formaldehyde; tetratetrafluoroborate CAS Name: cyclohexa-1,3-diene; formaldehyde; iron(3+); tetratetrafluoroborate IUPAC Name: cyclohexa-1,3-diene; formaldehyde; iron(3+); tetratetrafluoroborate Traditional Name: ferric; cyclohexa-1,3-diene; formaldehyde; tetratetrafluoroborate Formula: C9H13B4F16FeO3 MolecularWeight: 572.261171

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C=O.C=O.C=O.C1C=CC=C[CH+]1.[Fe+3]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C=O.C=O.C=O.C1C=CC=C[CH+]1.[Fe+3]

InChI

InChI=1S/C6H7.3CH2O.4BF4.Fe/c1-2-4-6-5-3-1;3*1-2;4*2-1(3,4)5;/h1-5H,6H2;3*1H2;;;;;/q+1;;;;4*-1;+3