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

Systemtic Name: iron(3+); methanal; (4-methoxycarbonylcyclohexa-2,5-dien-1-ylidene)-methyl-oxidanium; tetratetrafluoroborate Openeye Name: ferric; formaldehyde; (4-methoxycarbonylcyclohexa-2,5-dien-1-ylidene)-methyl-oxonium; tetratetrafluoroborate CAS Name: formaldehyde; iron(3+); (4-methoxycarbonyl-1-cyclohexa-2,5-dienylidene)-methyloxonium; tetratetrafluoroborate IUPAC Name: formaldehyde; iron(3+); (4-methoxycarbonylcyclohexa-2,5-dien-1-ylidene)-methyloxidanium; tetratetrafluoroborate Traditional Name: ferric; (4-carbomethoxycyclohexa-2,5-dien-1-ylidene)-methyl-oxonium; formaldehyde; tetratetrafluoroborate Formula: C12H17B4F16FeO6 MolecularWeight: 660.323231

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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.COC(=O)C1C=CC(=[O+]C)C=C1.C=O.C=O.C=O.[Fe+3]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.COC(=O)C1C=CC(=[O+]C)C=C1.C=O.C=O.C=O.[Fe+3]

InChI

InChI=1S/C9H11O3.3CH2O.4BF4.Fe/c1-11-8-5-3-7(4-6-8)9(10)12-2;3*1-2;4*2-1(3,4)5;/h3-7H,1-2H3;3*1H2;;;;;/q+1;;;;4*-1;+3