2-[2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[2-(3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl)oxy-2-oxo-ethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[2-(3-carboxy-3,5-dihydroxy-1,5-dioxopentoxy)-2-oxoethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[2-(3-carboxy-3,5-dihydroxy-5-oxopentanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[2-(3-carboxy-3,5-dihydroxy-5-keto-pentanoyl)oxy-2-keto-ethyl]-2-hydroxy-succinic acid Formula: C12H14O13 MolecularWeight: 366.23176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O13/c13-5(14)1-11(23,9(19)20)3-7(17)25-8(18)4-12(24,10(21)22)2-6(15)16/h23-24H,1-4H2,(H,13,14)(H,15,16)(H,19,20)(H,21,22)