cyclopentane; (E)-1-cyclopentyl-3-[4-(4-methylphenyl)phenyl]prop-2-en-1-one; iron(2+)

Systemtic Name: cyclopentane; (E)-1-cyclopentyl-3-[4-(4-methylphenyl)phenyl]prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-[4-(p-tolyl)phenyl]prop-2-en-1-one CAS Name: cyclopentane; (E)-1-cyclopentyl-3-[4-(4-methylphenyl)phenyl]-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (E)-1-cyclopentyl-3-[4-(4-methylphenyl)phenyl]prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-[4-(p-tolyl)phenyl]prop-2-en-1-one Formula: C26H22FeO+2 MolecularWeight: 406.29728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H17O.C5H5.Fe/c1-16-6-11-18(12-7-16)19-13-8-17(9-14-19)10-15-21(22)20-4-2-3-5-20;1-2-4-5-3-1;/h2-15H,1H3;1-5H;/q;;+2/b15-10+;;