cyclohepta-1,3,5-triene; iron(2+); methanal

Systemtic Name: cyclohepta-1,3,5-triene; iron(2+); methanal Openeye Name: ferrous; cyclohepta-1,3,5-triene; formaldehyde CAS Name: cyclohepta-1,3,5-triene; formaldehyde; iron(2+) IUPAC Name: cyclohepta-1,3,5-triene; formaldehyde; iron(2+) Traditional Name: ferrous; cyclohepta-1,3,5-triene; formaldehyde Formula: C10H14FeO3+2 MolecularWeight: 238.06136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=O.C=O.C=O.C1C=CC=CC=C1.[Fe+2]

Isomeric SMILES

C=O.C=O.C=O.C1C=CC=CC=C1.[Fe+2]

InChI

InChI=1S/C7H8.3CH2O.Fe/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;3*1H2;/q;;;;+2