carbon monoxide; iron(3+); methyl 3-cyclopentylpropanoate; tetrafluoroborate

Systemtic Name: carbon monoxide; iron(3+); methyl 3-cyclopentylpropanoate; tetrafluoroborate Openeye Name: ferric; carbon monoxide; methyl 3-cyclopentylpropanoate; tetrafluoroborate CAS Name: carbon monoxide; 3-cyclopentylpropanoic acid methyl ester; iron(3+); tetrafluoroborate IUPAC Name: carbon monoxide; iron(3+); methyl 3-cyclopentylpropanoate; tetrafluoroborate Traditional Name: ferric; carbon monoxide; 3-cyclopentylpropionic acid methyl ester; tetrafluoroborate Formula: C12H11BF4FeO5+2 MolecularWeight: 377.862353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC(=O)CC[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+3]

Isomeric SMILES

[B-](F)(F)(F)F.COC(=O)CC[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+3]

InChI

InChI=1S/C9H11O2.3CO.BF4.Fe/c1-11-9(10)7-6-8-4-2-3-5-8;3*1-2;2-1(3,4)5;/h2-5H,6-7H2,1H3;;;;;/q;;;;-1;+3