1-(phosphonomethyl)-2-propyl-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(phosphonomethyl)-2-propyl-pentane-1,2,3-tricarboxylic acid Openeye Name: 1-(phosphonomethyl)-2-propyl-pentane-1,2,3-tricarboxylic acid CAS Name: 1-(phosphonomethyl)-2-propylpentane-1,2,3-tricarboxylic acid IUPAC Name: 1-(phosphonomethyl)-2-propylpentane-1,2,3-tricarboxylic acid Traditional Name: 1-(phosphonomethyl)-2-propyl-pentane-1,2,3-tricarboxylic acid Formula: C12H21O9P MolecularWeight: 340.263501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)O)(C(CP(=O)(O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(CC)C(=O)O)(C(CP(=O)(O)O)C(=O)O)C(=O)O

InChI

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