[3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-3-yl]oxidanium; iron

Systemtic Name: [3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-3-yl]oxidanium; iron Openeye Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-3-oxo-propyl]oxonium; iron CAS Name: (3-carboxy-1,5-dihydroxy-1,5-dioxopentan-3-yl)oxonium; iron IUPAC Name: (3-carboxy-1,5-dihydroxy-1,5-dioxopentan-3-yl)oxidanium; iron Traditional Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-3-keto-propyl]oxonium; iron Formula: C12H18Fe2O14+2 MolecularWeight: 497.95292

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CC(=O)O)(C(=O)O)[OH2+].C(C(=O)O)C(CC(=O)O)(C(=O)O)[OH2+].[Fe].[Fe]

Isomeric SMILES

C(C(=O)O)C(CC(=O)O)(C(=O)O)[OH2+].C(C(=O)O)C(CC(=O)O)(C(=O)O)[OH2+].[Fe].[Fe]

InChI

InChI=1S/2C6H8O7.2Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/p+2