2-ethyl-3-phosphono-butane-1,2,3-tricarboxylic acid

Systemtic Name: 2-ethyl-3-phosphono-butane-1,2,3-tricarboxylic acid Openeye Name: 2-ethyl-3-phosphono-butane-1,2,3-tricarboxylic acid CAS Name: 2-ethyl-3-phosphonobutane-1,2,3-tricarboxylic acid IUPAC Name: 2-ethyl-3-phosphonobutane-1,2,3-tricarboxylic acid Traditional Name: 2-ethyl-3-phosphono-butane-1,2,3-tricarboxylic acid Formula: C9H15O9P MolecularWeight: 298.183761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(C(=O)O)C(C)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC(=O)O)(C(=O)O)C(C)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H15O9P/c1-3-9(7(14)15,4-5(10)11)8(2,6(12)13)19(16,17)18/h3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15)(H2,16,17,18)