4-acetyloxy-3-ethyl-heptane-2,3,4-tricarboxylic acid

Systemtic Name: 4-acetyloxy-3-ethyl-heptane-2,3,4-tricarboxylic acid Openeye Name: 4-acetoxy-3-ethyl-heptane-2,3,4-tricarboxylic acid CAS Name: 4-acetyloxy-3-ethylheptane-2,3,4-tricarboxylic acid IUPAC Name: 4-acetyloxy-3-ethylheptane-2,3,4-tricarboxylic acid Traditional Name: 4-acetoxy-3-ethyl-heptane-2,3,4-tricarboxylic acid Formula: C14H22O8 MolecularWeight: 318.31968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O8/c1-5-9(10(16)17)14(12(20)21,22-8(4)15)13(6-2,7-3)11(18)19/h9H,5-7H2,1-4H3,(H,16,17)(H,18,19)(H,20,21)