ethyl 2-diethoxyphosphorylpropanoate; 2-methyl-2,4-diphosphono-pentanedioic acid

Systemtic Name: ethyl 2-diethoxyphosphorylpropanoate; 2-methyl-2,4-diphosphono-pentanedioic acid Openeye Name: ethyl 2-diethoxyphosphorylpropanoate; 2-methyl-2,4-diphosphono-pentanedioic acid CAS Name: 2-diethoxyphosphorylpropanoic acid ethyl ester; 2-methyl-2,4-diphosphonopentanedioic acid IUPAC Name: ethyl 2-diethoxyphosphorylpropanoate; 2-methyl-2,4-diphosphonopentanedioic acid Traditional Name: 2-diethoxyphosphorylpropionic acid ethyl ester; 2-methyl-2,4-diphosphono-glutaric acid Formula: C15H31O15P3 MolecularWeight: 544.318923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)P(=O)(OCC)OCC.CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CCOC(=O)C(C)P(=O)(OCC)OCC.CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C9H19O5P.C6H12O10P2/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3;1-6(5(9)10,18(14,15)16)2-3(4(7)8)17(11,12)13/h8H,5-7H2,1-4H3;3H,2H2,1H3,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16)