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

Systemtic Name: 1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid Openeye Name: 1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid CAS Name: 1-methyl-2-phosphonohexane-1,2,3-tricarboxylic acid IUPAC Name: 1-methyl-2-phosphonohexane-1,2,3-tricarboxylic acid Traditional Name: 1-methyl-2-phosphono-hexane-1,2,3-tricarboxylic acid Formula: C10H17O9P MolecularWeight: 312.210341

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C(C(C)C(=O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCC(C(=O)O)C(C(C)C(=O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H17O9P/c1-3-4-6(8(13)14)10(9(15)16,20(17,18)19)5(2)7(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,17,18,19)