cyclopentane; ethyl 4-cyclopentyl-2-(cyclopentylmethyl)-3-oxidanylidene-butanoate; iron(2+)

Systemtic Name: cyclopentane; ethyl 4-cyclopentyl-2-(cyclopentylmethyl)-3-oxidanylidene-butanoate; iron(2+) Openeye Name: diferrous; cyclopentane; ethyl 4-cyclopentyl-2-(cyclopentylmethyl)-3-oxo-butanoate CAS Name: cyclopentane; 4-cyclopentyl-2-(cyclopentylmethyl)-3-oxobutanoic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 4-cyclopentyl-2-(cyclopentylmethyl)-3-oxobutanoate; iron(2+) Traditional Name: diferrous; cyclopentane; 4-cyclopentyl-2-(cyclopentylmethyl)-3-keto-butyric acid ethyl ester Formula: C27H28Fe2O3+4 MolecularWeight: 512.19942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3.2C5H5.2Fe/c1-2-20-17(19)15(11-13-7-3-4-8-13)16(18)12-14-9-5-6-10-14;2*1-2-4-5-3-1;;/h3-10,15H,2,11-12H2,1H3;2*1-5H;;/q;;;2*+2