3-ethanoyl-2-oxidanyl-heptane-1,2,3-tricarboxylate

Systemtic Name: 3-ethanoyl-2-oxidanyl-heptane-1,2,3-tricarboxylate Openeye Name: 3-acetyl-2-hydroxy-heptane-1,2,3-tricarboxylate CAS Name: 3-acetyl-2-hydroxyheptane-1,2,3-tricarboxylate IUPAC Name: 3-acetyl-2-hydroxyheptane-1,2,3-tricarboxylate Traditional Name: 3-acetyl-2-hydroxy-heptane-1,2,3-tricarboxylate Formula: C12H15O8-3 MolecularWeight: 287.2427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCC(C(=O)C)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C12H18O8/c1-3-4-5-11(7(2)13,9(16)17)12(20,10(18)19)6-8(14)15/h20H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/p-3