3-phosphono-2-propyl-hexane-1,2,3-tricarboxylic acid

Systemtic Name: 3-phosphono-2-propyl-hexane-1,2,3-tricarboxylic acid Openeye Name: 3-phosphono-2-propyl-hexane-1,2,3-tricarboxylic acid CAS Name: 3-phosphono-2-propylhexane-1,2,3-tricarboxylic acid IUPAC Name: 3-phosphono-2-propylhexane-1,2,3-tricarboxylic acid Traditional Name: 3-phosphono-2-propyl-hexane-1,2,3-tricarboxylic acid Formula: C12H21O9P MolecularWeight: 340.263501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21O9P/c1-3-5-11(9(15)16,7-8(13)14)12(6-4-2,10(17)18)22(19,20)21/h3-7H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)