(4-ethylcyclohexa-2,5-dien-1-ylidene)-propan-2-yl-oxidanium; iron(3+); methanal; tetrahexafluorophosphate

Systemtic Name: (4-ethylcyclohexa-2,5-dien-1-ylidene)-propan-2-yl-oxidanium; iron(3+); methanal; tetrahexafluorophosphate Openeye Name: ferric; (4-ethylcyclohexa-2,5-dien-1-ylidene)-isopropyl-oxonium; formaldehyde; tetrahexafluorophosphate CAS Name: (4-ethyl-1-cyclohexa-2,5-dienylidene)-propan-2-yloxonium; formaldehyde; iron(3+); tetrahexafluorophosphate IUPAC Name: (4-ethylcyclohexa-2,5-dien-1-ylidene)-propan-2-yloxidanium; formaldehyde; iron(3+); tetrahexafluorophosphate Traditional Name: ferric; (4-ethylcyclohexa-2,5-dien-1-ylidene)-isopropyl-oxonium; formaldehyde; tetrahexafluorophosphate Formula: C14H23F24FeO4P4 MolecularWeight: 891.031741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CC(=[O+]C(C)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

CCC1C=CC(=[O+]C(C)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/C11H17O.3CH2O.4F6P.Fe/c1-4-10-5-7-11(8-6-10)12-9(2)3;3*1-2;4*1-7(2,3,4,5)6;/h5-10H,4H2,1-3H3;3*1H2;;;;;/q+1;;;;4*-1;+3