(4R,5S)-4-(4-bromophenyl)carbonyl-5-cyclopentyl-oxolan-2-one; cyclopentane; iron(2+)

Systemtic Name: (4R,5S)-4-(4-bromophenyl)carbonyl-5-cyclopentyl-oxolan-2-one; cyclopentane; iron(2+) Openeye Name: ferrous; (4R,5S)-4-(4-bromobenzoyl)-5-cyclopentyl-tetrahydrofuran-2-one; cyclopentane CAS Name: (4R,5S)-4-[(4-bromophenyl)-oxomethyl]-5-cyclopentyl-2-oxolanone; cyclopentane; iron(2+) IUPAC Name: (4R,5S)-4-(4-bromobenzoyl)-5-cyclopentyloxolan-2-one; cyclopentane; iron(2+) Traditional Name: ferrous; (4R,5S)-4-(4-bromobenzoyl)-5-cyclopentyl-tetrahydrofuran-2-one; cyclopentane Formula: C21H17BrFeO3+2 MolecularWeight: 453.10688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1=O)[C]2[CH][CH][CH][CH]2)C(=O)C3=CC=C(C=C3)Br.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1[C@H]([C@@H](OC1=O)[C]2[CH][CH][CH][CH]2)C(=O)C3=CC=C(C=C3)Br.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H12BrO3.C5H5.Fe/c17-12-7-5-10(6-8-12)15(19)13-9-14(18)20-16(13)11-3-1-2-4-11;1-2-4-5-3-1;/h1-8,13,16H,9H2;1-5H;/q;;+2/t13-,16-;;/m0../s1