2,5-bis[bis(oxidanyl)methyl]terephthalic acid; iron; pentahydrate

Systemtic Name: 2,5-bis[bis(oxidanyl)methyl]terephthalic acid; iron; pentahydrate Openeye Name: 2,5-bis(dihydroxymethyl)terephthalic acid; iron; pentahydrate CAS Name: 2,5-bis(dihydroxymethyl)terephthalic acid; iron; pentahydrate IUPAC Name: 2,5-bis(dihydroxymethyl)terephthalic acid; iron; pentahydrate Traditional Name: 2,5-bis(dihydroxymethyl)terephthalic acid; iron; pentahydrate Formula: C10H20Fe5O13 MolecularWeight: 627.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)O)C(O)O)C(=O)O)C(O)O.O.O.O.O.O.[Fe].[Fe].[Fe].[Fe].[Fe]

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)O)C(O)O)C(=O)O)C(O)O.O.O.O.O.O.[Fe].[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/C10H10O8.5Fe.5H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;;;;;;;/h1-2,7,10-12,17-18H,(H,13,14)(H,15,16);;;;;;5*1H2