5,5-diethyl-2-oxidanyl-4-oxidanylidene-heptane-1,2,3-tricarboxylic acid

Systemtic Name: 5,5-diethyl-2-oxidanyl-4-oxidanylidene-heptane-1,2,3-tricarboxylic acid Openeye Name: 5,5-diethyl-2-hydroxy-4-oxo-heptane-1,2,3-tricarboxylic acid CAS Name: 5,5-diethyl-2-hydroxy-4-oxoheptane-1,2,3-tricarboxylic acid IUPAC Name: 5,5-diethyl-2-hydroxy-4-oxoheptane-1,2,3-tricarboxylic acid Traditional Name: 5,5-diethyl-2-hydroxy-4-keto-heptane-1,2,3-tricarboxylic acid Formula: C14H22O8 MolecularWeight: 318.31968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O8/c1-4-13(5-2,6-3)10(17)9(11(18)19)14(22,12(20)21)7-8(15)16/h9,22H,4-7H2,1-3H3,(H,15,16)(H,18,19)(H,20,21)