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

Systemtic Name: (E)-3-(10-butylphenothiazin-3-yl)-1-cyclopentyl-prop-2-en-1-one; cyclopentane; iron(2+) Openeye Name: ferrous; (E)-3-(10-butylphenothiazin-3-yl)-1-cyclopentyl-prop-2-en-1-one; cyclopentane CAS Name: (E)-3-(10-butyl-3-phenothiazinyl)-1-cyclopentyl-2-propen-1-one; cyclopentane; iron(2+) IUPAC Name: (E)-3-(10-butylphenothiazin-3-yl)-1-cyclopentylprop-2-en-1-one; cyclopentane; iron(2+) Traditional Name: ferrous; (E)-3-(10-butylphenothiazin-3-yl)-1-cyclopentyl-prop-2-en-1-one; cyclopentane Formula: C29H27FeNOS+2 MolecularWeight: 493.44078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=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

CCCCN1C2=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/C24H22NOS.C5H5.Fe/c1-2-3-16-25-20-10-6-7-11-23(20)27-24-17-18(12-14-21(24)25)13-15-22(26)19-8-4-5-9-19;1-2-4-5-3-1;/h4-15,17H,2-3,16H2,1H3;1-5H;/q;;+2/b15-13+;;