1-cyclopentyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-propan-1-one; iron(2+)

Systemtic Name: 1-cyclopentyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-propan-1-one; iron(2+) Openeye Name: ferrous 3-[(E)-cinnamyl]sulfanyl-1-cyclopentyl-propan-1-one CAS Name: 1-cyclopentyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1-propanone; iron(2+) IUPAC Name: 1-cyclopentyl-3-[(E)-3-phenylprop-2-enyl]sulfanylpropan-1-one; iron(2+) Traditional Name: ferrous 3-[[(E)-cinnamyl]thio]-1-cyclopentyl-propan-1-one Formula: C34H34FeO2S2+2 MolecularWeight: 594.60756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSCCC(=O)[C]2[CH][CH][CH][CH]2.C1=CC=C(C=C1)/C=C/CSCCC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C17H17OS.Fe/c2*18-17(16-10-4-5-11-16)12-14-19-13-6-9-15-7-2-1-3-8-15;/h2*1-11H,12-14H2;/q;;+2/b2*9-6+;