S-tert-butyl (3S)-4-chloranyl-3-cyclopentyl-butanethioate; cyclopentane; iron(2+)

Systemtic Name: S-tert-butyl (3S)-4-chloranyl-3-cyclopentyl-butanethioate; cyclopentane; iron(2+) Openeye Name: ferrous; S-tert-butyl (3S)-4-chloro-3-cyclopentyl-butanethioate; cyclopentane CAS Name: (3S)-4-chloro-3-cyclopentylbutanethioic acid S-tert-butyl ester; cyclopentane; iron(2+) IUPAC Name: S-tert-butyl (3S)-4-chloro-3-cyclopentylbutanethioate; cyclopentane; iron(2+) Traditional Name: ferrous; (3S)-4-chloro-3-cyclopentyl-butanethioic acid S-tert-butyl ester; cyclopentane Formula: C18H23ClFeOS+2 MolecularWeight: 378.73762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClOS.C5H5.Fe/c1-13(2,3)16-12(15)8-11(9-14)10-6-4-5-7-10;1-2-4-5-3-1;/h4-7,11H,8-9H2,1-3H3;1-5H;/q;;+2/t11-;;/m1../s1