cyclopentane; (E)-1-cyclopentyl-3-(10-methylphenothiazin-3-yl)prop-2-en-1-one; iron(2+)

Systemtic Name: cyclopentane; (E)-1-cyclopentyl-3-(10-methylphenothiazin-3-yl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(10-methylphenothiazin-3-yl)prop-2-en-1-one CAS Name: cyclopentane; (E)-1-cyclopentyl-3-(10-methyl-3-phenothiazinyl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopentane; (E)-1-cyclopentyl-3-(10-methylphenothiazin-3-yl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-1-cyclopentyl-3-(10-methylphenothiazin-3-yl)prop-2-en-1-one Formula: C26H21FeNOS+2 MolecularWeight: 451.36104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=CC(=O)[C]3[CH][CH][CH][CH]3)SC4=CC=CC=C41.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C/C(=O)[C]3[CH][CH][CH][CH]3)SC4=CC=CC=C41.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H16NOS.C5H5.Fe/c1-22-17-8-4-5-9-20(17)24-21-14-15(10-12-18(21)22)11-13-19(23)16-6-2-3-7-16;1-2-4-5-3-1;/h2-14H,1H3;1-5H;/q;;+2/b13-11+;;