benzene-1,2-diol; cyclohexa-1,3-diene-1,2-diol; iron

Systemtic Name: benzene-1,2-diol; cyclohexa-1,3-diene-1,2-diol; iron Openeye Name: benzene-1,2-diol; cyclohexa-1,3-diene-1,2-diol; iron CAS Name: benzene-1,2-diol; cyclohexa-1,3-diene-1,2-diol; iron IUPAC Name: benzene-1,2-diol; cyclohexa-1,3-diene-1,2-diol; iron Traditional Name: cyclohexa-1,3-diene-1,2-diol; iron; pyrocatechol Formula: C18H20FeO6 MolecularWeight: 388.1928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)O)O.C1=CC=C(C(=C1)O)O.C1=CC=C(C(=C1)O)O.[Fe]

Isomeric SMILES

C1CC(=C(C=C1)O)O.C1=CC=C(C(=C1)O)O.C1=CC=C(C(=C1)O)O.[Fe]

InChI

InChI=1S/C6H8O2.2C6H6O2.Fe/c3*7-5-3-1-2-4-6(5)8;/h1,3,7-8H,2,4H2;2*1-4,7-8H;