carbanide; carbon monoxide; iron(2+); methyl 2-methyl-4-phenyl-cyclopentane-1-carboxylate

Systemtic Name: carbanide; carbon monoxide; iron(2+); methyl 2-methyl-4-phenyl-cyclopentane-1-carboxylate Openeye Name: ferrous; carbanide; carbon monoxide; methyl 2-methyl-4-phenyl-cyclopentanecarboxylate CAS Name: carbanide; carbon monoxide; iron(2+); 2-methyl-4-phenyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: carbanide; carbon monoxide; iron(2+); methyl 2-methyl-4-phenylcyclopentane-1-carboxylate Traditional Name: ferrous; carbanide; carbon monoxide; 2-methyl-4-phenyl-cyclopentanecarboxylic acid methyl ester Formula: C17H21FeO4+ MolecularWeight: 345.19124

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC1CC(CC1C(=O)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

[CH3-].CC1CC(CC1C(=O)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C14H18O2.2CO.CH3.Fe/c1-10-8-12(9-13(10)14(15)16-2)11-6-4-3-5-7-11;2*1-2;;/h3-7,10,12-13H,8-9H2,1-2H3;;;1H3;/q;;;-1;+2