2,4-dimethyl-3-(4-oxidanyl-4-oxidanylidene-butan-2-yl)pentane-1,3,5-tricarboxylic acid

Systemtic Name: 2,4-dimethyl-3-(4-oxidanyl-4-oxidanylidene-butan-2-yl)pentane-1,3,5-tricarboxylic acid Openeye Name: 3-(3-hydroxy-1-methyl-3-oxo-propyl)-2,4-dimethyl-pentane-1,3,5-tricarboxylic acid CAS Name: 3-(4-hydroxy-4-oxobutan-2-yl)-2,4-dimethylpentane-1,3,5-tricarboxylic acid IUPAC Name: 3-(4-hydroxy-4-oxobutan-2-yl)-2,4-dimethylpentane-1,3,5-tricarboxylic acid Traditional Name: 3-(3-hydroxy-3-keto-1-methyl-propyl)-2,4-dimethyl-pentane-1,3,5-tricarboxylic acid Formula: C14H22O8 MolecularWeight: 318.31968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O8/c1-7(4-10(15)16)14(13(21)22,8(2)5-11(17)18)9(3)6-12(19)20/h7-9H,4-6H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)