carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-prop-2-enoxy-butan-1-ol

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-prop-2-enoxy-butan-1-ol Openeye Name: ferrous; 3-allyloxy-1-(4-nitrophenyl)butan-1-ol; carbon monoxide; cyclopentane CAS Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-prop-2-enoxy-1-butanol IUPAC Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-prop-2-enoxybutan-1-ol Traditional Name: ferrous; 3-allyloxy-1-(4-nitrophenyl)butan-1-ol; carbon monoxide; cyclopentane Formula: C20H21FeNO6+ MolecularWeight: 427.22884

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C(CC(C1=CC=C(C=C1)[N+](=O)[O-])O)OCC=C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

[CH2-]C(CC(C1=CC=C(C=C1)[N+](=O)[O-])O)OCC=C.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C13H16NO4.C5H5.2CO.Fe/c1-3-8-18-10(2)9-13(15)11-4-6-12(7-5-11)14(16)17;1-2-4-5-3-1;2*1-2;/h3-7,10,13,15H,1-2,8-9H2;1-5H;;;/q-1;;;;+2