cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)prop-2-en-1-one; iron(2+)

Systemtic Name: cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)prop-2-en-1-one CAS Name: cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(2-isothiocyanatophenyl)prop-2-en-1-one Formula: C20H15FeNOS+2 MolecularWeight: 373.2492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)[C]2[CH][CH][CH][CH]2)N=C=S.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C15H10NOS.C5H5.Fe/c17-15(13-6-1-2-7-13)10-9-12-5-3-4-8-14(12)16-11-18;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b10-9+;;