4-ethanoyl-2-oxidanyl-heptane-1,2,3-tricarboxylic acid

Systemtic Name: 4-ethanoyl-2-oxidanyl-heptane-1,2,3-tricarboxylic acid Openeye Name: 4-acetyl-2-hydroxy-heptane-1,2,3-tricarboxylic acid CAS Name: 4-acetyl-2-hydroxyheptane-1,2,3-tricarboxylic acid IUPAC Name: 4-acetyl-2-hydroxyheptane-1,2,3-tricarboxylic acid Traditional Name: 4-acetyl-2-hydroxy-heptane-1,2,3-tricarboxylic acid Formula: C12H18O8 MolecularWeight: 290.26652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O8/c1-3-4-7(6(2)13)9(10(16)17)12(20,11(18)19)5-8(14)15/h7,9,20H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)