2-(hydroxymethyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(hydroxymethyl)-3-phosphono-butanedioic acid Openeye Name: 2-(hydroxymethyl)-3-phosphono-butanedioic acid CAS Name: 2-(hydroxymethyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(hydroxymethyl)-3-phosphonobutanedioic acid Traditional Name: 2-methylol-3-phosphono-succinic acid Formula: C5H9O8P MolecularWeight: 228.093921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9O8P/c6-1-2(4(7)8)3(5(9)10)14(11,12)13/h2-3,6H,1H2,(H,7,8)(H,9,10)(H2,11,12,13)