S-tert-butyl (3S)-3-cyclopentyl-3-phenyl-propanethioate; cyclopentane; iron(2+)

Systemtic Name: S-tert-butyl (3S)-3-cyclopentyl-3-phenyl-propanethioate; cyclopentane; iron(2+) Openeye Name: ferrous; S-tert-butyl (3S)-3-cyclopentyl-3-phenyl-propanethioate; cyclopentane CAS Name: cyclopentane; (3S)-3-cyclopentyl-3-phenylpropanethioic acid S-tert-butyl ester; iron(2+) IUPAC Name: S-tert-butyl (3S)-3-cyclopentyl-3-phenylpropanethioate; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; (3S)-3-cyclopentyl-3-phenyl-propanethioic acid S-tert-butyl ester Formula: C23H26FeOS+2 MolecularWeight: 406.36194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21OS.C5H5.Fe/c1-18(2,3)20-17(19)13-16(15-11-7-8-12-15)14-9-5-4-6-10-14;1-2-4-5-3-1;/h4-12,16H,13H2,1-3H3;1-5H;/q;;+2/t16-;;/m1../s1