2-acetyloxyheptane-1,1,1-tricarboxylic acid

Systemtic Name: 2-acetyloxyheptane-1,1,1-tricarboxylic acid Openeye Name: 2-acetoxyheptane-1,1,1-tricarboxylic acid CAS Name: 2-acetyloxyheptane-1,1,1-tricarboxylic acid IUPAC Name: 2-acetyloxyheptane-1,1,1-tricarboxylic acid Traditional Name: 2-acetoxyheptane-1,1,1-tricarboxylic acid Formula: C12H18O8 MolecularWeight: 290.26652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)O)(C(=O)O)C(=O)O)OC(=O)C

Isomeric SMILES

CCCCCC(C(C(=O)O)(C(=O)O)C(=O)O)OC(=O)C

InChI

InChI=1S/C12H18O8/c1-3-4-5-6-8(20-7(2)13)12(9(14)15,10(16)17)11(18)19/h8H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)