[(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate

Systemtic Name: [(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate Openeye Name: [(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate CAS Name: [(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate IUPAC Name: [(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate Traditional Name: [(E)-but-1-enyl]sulfonylbenzene; carbon monoxide; iron; tetrafluoroborate Formula: C14H11BF4FeO6S MolecularWeight: 449.948153

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[CH+]C=CS(=O)(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

[B-](F)(F)(F)F.C[CH+]/C=C/S(=O)(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H11O2S.4CO.BF4.Fe/c1-2-3-9-13(11,12)10-7-5-4-6-8-10;4*1-2;2-1(3,4)5;/h2-9H,1H3;;;;;;/q+1;;;;;-1;/b9-3+;;;;;;