iron; 2-oxidanylcyclohepta-2,4,6-trien-1-one

Systemtic Name: iron; 2-oxidanylcyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; iron CAS Name: 2-hydroxy-1-cyclohepta-2,4,6-trienone; iron IUPAC Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; iron Traditional Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; iron Formula: C21H18FeO6 MolecularWeight: 422.20902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.[Fe]

Isomeric SMILES

C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.[Fe]

InChI

InChI=1S/3C7H6O2.Fe/c3*8-6-4-2-1-3-5-7(6)9;/h3*1-5H,(H,8,9);