2-ethyl-1-methyl-3-oxidanyl-hexane-1,2,3-tricarboxylic acid

Systemtic Name: 2-ethyl-1-methyl-3-oxidanyl-hexane-1,2,3-tricarboxylic acid Openeye Name: 2-ethyl-3-hydroxy-1-methyl-hexane-1,2,3-tricarboxylic acid CAS Name: 2-ethyl-3-hydroxy-1-methylhexane-1,2,3-tricarboxylic acid IUPAC Name: 2-ethyl-3-hydroxy-1-methylhexane-1,2,3-tricarboxylic acid Traditional Name: 2-ethyl-3-hydroxy-1-methyl-hexane-1,2,3-tricarboxylic acid Formula: C12H20O7 MolecularWeight: 276.283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O7/c1-4-6-12(19,10(17)18)11(5-2,9(15)16)7(3)8(13)14/h7,19H,4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)