4-phosphonononane-2,3,4-tricarboxylic acid

Systemtic Name: 4-phosphonononane-2,3,4-tricarboxylic acid Openeye Name: 4-phosphonononane-2,3,4-tricarboxylic acid CAS Name: 4-phosphonononane-2,3,4-tricarboxylic acid IUPAC Name: 4-phosphonononane-2,3,4-tricarboxylic acid Traditional Name: 4-phosphonononane-2,3,4-tricarboxylic acid Formula: C12H21O9P MolecularWeight: 340.263501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)C(C(CC)C(=O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(C(=O)O)C(C(CC)C(=O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H21O9P/c1-3-5-6-8(10(15)16)12(11(17)18,22(19,20)21)7(4-2)9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)