cyclopenta-1,3-diene; iron(2+); methanal; 3-phenylpropan-1-one

Systemtic Name: cyclopenta-1,3-diene; iron(2+); methanal; 3-phenylpropan-1-one Openeye Name: ferrous; cyclopenta-1,3-diene; formaldehyde; 3-phenylpropan-1-one CAS Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); 3-phenyl-1-propanone IUPAC Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); 3-phenylpropan-1-one Traditional Name: ferrous; cyclopenta-1,3-diene; formaldehyde; 3-phenylpropan-1-one Formula: C17H20FeO4 MolecularWeight: 344.1833

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C=O.C=O.C1C=CC=[C-]1.C1=CC=C(C=C1)CC[C-]=O.[Fe+2]

Isomeric SMILES

C=O.C=O.C=O.C1C=CC=[C-]1.C1=CC=C(C=C1)CC[C-]=O.[Fe+2]

InChI

InChI=1S/C9H9O.C5H5.3CH2O.Fe/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-5-3-1;3*1-2;/h1-3,5-6H,4,7H2;1-3H,4H2;3*1H2;/q2*-1;;;;+2