2-(2,2-dicarboxy-1-oxidanyl-1-oxidanylidene-pentan-3-yl)oxybutane-1,1,1-tricarboxylic acid

Systemtic Name: 2-(2,2-dicarboxy-1-oxidanyl-1-oxidanylidene-pentan-3-yl)oxybutane-1,1,1-tricarboxylic acid Openeye Name: 2-(2,2-dicarboxy-1-ethyl-3-hydroxy-3-oxo-propoxy)butane-1,1,1-tricarboxylic acid CAS Name: 2-(2,2-dicarboxy-1-hydroxy-1-oxopentan-3-yl)oxybutane-1,1,1-tricarboxylic acid IUPAC Name: 2-(2,2-dicarboxy-1-hydroxy-1-oxopentan-3-yl)oxybutane-1,1,1-tricarboxylic acid Traditional Name: 2-(2,2-dicarboxy-1-ethyl-3-hydroxy-3-keto-propoxy)butane-1,1,1-tricarboxylic acid Formula: C14H18O13 MolecularWeight: 394.28492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O13/c1-3-5(13(7(15)16,8(17)18)9(19)20)27-6(4-2)14(10(21)22,11(23)24)12(25)26/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)