3-ethyl-4-(2-methylpropanoyloxy)heptane-2,3,4-tricarboxylic acid

Systemtic Name: 3-ethyl-4-(2-methylpropanoyloxy)heptane-2,3,4-tricarboxylic acid Openeye Name: 3-ethyl-4-(2-methylpropanoyloxy)heptane-2,3,4-tricarboxylic acid CAS Name: 3-ethyl-4-(2-methyl-1-oxopropoxy)heptane-2,3,4-tricarboxylic acid IUPAC Name: 3-ethyl-4-(2-methylpropanoyloxy)heptane-2,3,4-tricarboxylic acid Traditional Name: 3-ethyl-4-isobutyryloxy-heptane-2,3,4-tricarboxylic acid Formula: C16H26O8 MolecularWeight: 346.37284

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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26O8/c1-6-10(11(17)18)16(14(22)23,24-12(19)9(4)5)15(7-2,8-3)13(20)21/h9-10H,6-8H2,1-5H3,(H,17,18)(H,20,21)(H,22,23)