cyclopentane; 5-(2-cyclopentylethynyl)-1-octyl-pyrimidine-2,4-dione; iron(2+)

Systemtic Name: cyclopentane; 5-(2-cyclopentylethynyl)-1-octyl-pyrimidine-2,4-dione; iron(2+) Openeye Name: ferrous; cyclopentane; 5-(2-cyclopentylethynyl)-1-octyl-pyrimidine-2,4-dione CAS Name: cyclopentane; 5-(2-cyclopentylethynyl)-1-octylpyrimidine-2,4-dione; iron(2+) IUPAC Name: cyclopentane; 5-(2-cyclopentylethynyl)-1-octylpyrimidine-2,4-dione; iron(2+) Traditional Name: ferrous; cyclopentane; 5-(2-cyclopentylethynyl)-1-octyl-pyrimidine-2,4-quinone Formula: C24H28FeN2O2+2 MolecularWeight: 432.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C(=O)NC1=O)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCN1C=C(C(=O)NC1=O)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H23N2O2.C5H5.Fe/c1-2-3-4-5-6-9-14-21-15-17(18(22)20-19(21)23)13-12-16-10-7-8-11-16;1-2-4-5-3-1;/h7-8,10-11,15H,2-6,9,14H2,1H3,(H,20,22,23);1-5H;/q;;+2