cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterio-heptan-3-one; iron(2+)

Systemtic Name: cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterio-heptan-3-one; iron(2+) Openeye Name: diferrous; cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterio-heptan-3-one CAS Name: cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterio-3-heptanone; iron(2+) IUPAC Name: cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterioheptan-3-one; iron(2+) Traditional Name: diferrous; cyclopentane; 4,5-di(cyclopentyl)-4,5-dideuterio-heptan-3-one Formula: C27H30Fe2O+4 MolecularWeight: 484.228824

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Descriptors Computed from Structure

Canonical SMILES:

CCC([C]1[CH][CH][CH][CH]1)C([C]2[CH][CH][CH][CH]2)C(=O)CC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

[2H]C(CC)([C]1[CH][CH][CH][CH]1)C([2H])([C]2[CH][CH][CH][CH]2)C(=O)CC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C17H20O.2C5H5.2Fe/c1-3-15(13-9-5-6-10-13)17(16(18)4-2)14-11-7-8-12-14;2*1-2-4-5-3-1;;/h5-12,15,17H,3-4H2,1-2H3;2*1-5H;;/q;;;2*+2/i15D,17D;;;;