cyclopentane; iron(2+); (phenylmethyl) (3R)-3-cyclopentylbutanoate

Systemtic Name: cyclopentane; iron(2+); (phenylmethyl) (3R)-3-cyclopentylbutanoate Openeye Name: ferrous; benzyl (3R)-3-cyclopentylbutanoate; cyclopentane CAS Name: cyclopentane; (3R)-3-cyclopentylbutanoic acid (phenylmethyl) ester; iron(2+) IUPAC Name: benzyl (3R)-3-cyclopentylbutanoate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; (3R)-3-cyclopentylbutyric acid benzyl ester Formula: C21H22FeO2+2 MolecularWeight: 362.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=CC=CC=C1)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C@H](CC(=O)OCC1=CC=CC=C1)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H17O2.C5H5.Fe/c1-13(15-9-5-6-10-15)11-16(17)18-12-14-7-3-2-4-8-14;1-2-4-5-3-1;/h2-10,13H,11-12H2,1H3;1-5H;/q;;+2/t13-;;/m1../s1