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

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-phenylmethoxy-butan-1-ol Openeye Name: ferrous; 3-benzyloxy-1-(4-nitrophenyl)butan-1-ol; carbon monoxide; cyclopentane CAS Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-phenylmethoxy-1-butanol IUPAC Name: carbon monoxide; cyclopentane; iron(2+); 1-(4-nitrophenyl)-3-phenylmethoxybutan-1-ol Traditional Name: ferrous; 3-benzoxy-1-(4-nitrophenyl)butan-1-ol; carbon monoxide; cyclopentane Formula: C24H23FeNO6+ MolecularWeight: 477.28752

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C(CC(C1=CC=C(C=C1)[N+](=O)[O-])O)OCC2=CC=CC=C2.[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)OCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H18NO4.C5H5.2CO.Fe/c1-13(22-12-14-5-3-2-4-6-14)11-17(19)15-7-9-16(10-8-15)18(20)21;1-2-4-5-3-1;2*1-2;/h2-10,13,17,19H,1,11-12H2;1-5H;;;/q-1;;;;+2