cyclohexa-1,3-diene; iron(2+); methanal; tetrafluoroborate

Systemtic Name: cyclohexa-1,3-diene; iron(2+); methanal; tetrafluoroborate Openeye Name: ferrous; cyclohexa-1,3-diene; formaldehyde; tetrafluoroborate CAS Name: cyclohexa-1,3-diene; formaldehyde; iron(2+); tetrafluoroborate IUPAC Name: cyclohexa-1,3-diene; formaldehyde; iron(2+); tetrafluoroborate Traditional Name: ferrous; cyclohexa-1,3-diene; formaldehyde; tetrafluoroborate Formula: C9H13BF4FeO3+2 MolecularWeight: 311.847333

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C=O.C=O.C=O.C1C=CC=C[CH+]1.[Fe+2]

Isomeric SMILES

[B-](F)(F)(F)F.C=O.C=O.C=O.C1C=CC=C[CH+]1.[Fe+2]

InChI

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