1-phosphonooxyhexane-1,2,4-tricarboxylic acid

Systemtic Name: 1-phosphonooxyhexane-1,2,4-tricarboxylic acid Openeye Name: 1-phosphonooxyhexane-1,2,4-tricarboxylic acid CAS Name: 1-phosphonooxyhexane-1,2,4-tricarboxylic acid IUPAC Name: 1-phosphonooxyhexane-1,2,4-tricarboxylic acid Traditional Name: 1-phosphonooxyhexane-1,2,4-tricarboxylic acid Formula: C9H15O10P MolecularWeight: 314.183161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(C(=O)O)OP(=O)(O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC(C(C(=O)O)OP(=O)(O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H15O10P/c1-2-4(7(10)11)3-5(8(12)13)6(9(14)15)19-20(16,17)18/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)(H2,16,17,18)