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

Systemtic Name: cyclopenta-1,3-diene; iron(2+); methanal; phenylmethanone Openeye Name: ferrous; cyclopenta-1,3-diene; formaldehyde; phenylmethanone CAS Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); phenylmethanone IUPAC Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); phenylmethanone Traditional Name: ferrous; cyclopenta-1,3-diene; formaldehyde; phenylmethanone Formula: C15H16FeO4 MolecularWeight: 316.13014

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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)[C-]=O.[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C7H5O.C5H5.3CH2O.Fe/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;3*1-2;/h1-5H;1-3H,4H2;3*1H2;/q2*-1;;;;+2