2-[3-carboxy-2,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxypropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[3-carboxy-2,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxypropane-1,2,3-tricarboxylic acid Openeye Name: 2-(3-carboxy-2,5-dihydroxy-5-oxo-pentanoyl)oxypropane-1,2,3-tricarboxylic acid CAS Name: 2-(3-carboxy-2,5-dihydroxy-1,5-dioxopentoxy)propane-1,2,3-tricarboxylic acid IUPAC Name: 2-(3-carboxy-2,5-dihydroxy-5-oxopentanoyl)oxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(3-carboxy-2,5-dihydroxy-5-keto-pentanoyl)oxypropane-1,2,3-tricarboxylic acid Formula: C12H14O13 MolecularWeight: 366.23176

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C(C(C(C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O13/c13-5(14)1-4(9(20)21)8(19)10(22)25-12(11(23)24,2-6(15)16)3-7(17)18/h4,8,19H,1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,20,21)(H,23,24)