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

Systemtic Name: 1-methyl-2,4-diphosphono-butane-1,2,3-tricarboxylic acid Openeye Name: 1-methyl-2,4-diphosphono-butane-1,2,3-tricarboxylic acid CAS Name: 1-methyl-2,4-diphosphonobutane-1,2,3-tricarboxylic acid IUPAC Name: 1-methyl-2,4-diphosphonobutane-1,2,3-tricarboxylic acid Traditional Name: 1-methyl-2,4-diphosphono-butane-1,2,3-tricarboxylic acid Formula: C8H14O12P2 MolecularWeight: 364.137082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O12P2/c1-3(5(9)10)8(7(13)14,22(18,19)20)4(6(11)12)2-21(15,16)17/h3-4H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)