1-cyclopenta-2,4-dien-1-yl-2-(1-methoxyethyl)benzene; iron(3+); trihexafluorophosphate

Systemtic Name: 1-cyclopenta-2,4-dien-1-yl-2-(1-methoxyethyl)benzene; iron(3+); trihexafluorophosphate Openeye Name: ferric 1-cyclopenta-2,4-dien-1-yl-2-(1-methoxyethyl)benzene trihexafluorophosphate CAS Name: 1-(1-cyclopenta-2,4-dienyl)-2-(1-methoxyethyl)benzene; iron(3+); trihexafluorophosphate IUPAC Name: 1-cyclopenta-2,4-dien-1-yl-2-(1-methoxyethyl)benzene; iron(3+); trihexafluorophosphate Traditional Name: ferric 1-cyclopenta-2,4-dien-1-yl-2-(1-methoxyethyl)benzene trihexafluorophosphate Formula: C14H16F18FeOP3 MolecularWeight: 691.013781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C2C=CC=C2)OC.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

CC(C1=CC=CC=C1C2C=CC=C2)OC.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/C14H16O.3F6P.Fe/c1-11(15-2)13-9-5-6-10-14(13)12-7-3-4-8-12;3*1-7(2,3,4,5)6;/h3-12H,1-2H3;;;;/q;3*-1;+3