1-methyl-4-phosphono-butane-1,2,3-tricarboxylic acid

Systemtic Name: 1-methyl-4-phosphono-butane-1,2,3-tricarboxylic acid Openeye Name: 1-methyl-4-phosphono-butane-1,2,3-tricarboxylic acid CAS Name: 1-methyl-4-phosphonobutane-1,2,3-tricarboxylic acid IUPAC Name: 1-methyl-4-phosphonobutane-1,2,3-tricarboxylic acid Traditional Name: 1-methyl-4-phosphono-butane-1,2,3-tricarboxylic acid Formula: C8H13O9P MolecularWeight: 284.157181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13O9P/c1-3(6(9)10)5(8(13)14)4(7(11)12)2-18(15,16)17/h3-5H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)