[(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl] ethanoate

Systemtic Name: [(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl] ethanoate Openeye Name: [(E)-2-(hydroxymethyl)-4-phosphonato-but-3-enyl] acetate CAS Name: acetic acid [(E)-2-(hydroxymethyl)-4-phosphonatobut-3-enyl] ester IUPAC Name: [(E)-2-(hydroxymethyl)-4-phosphonatobut-3-enyl] acetate Traditional Name: acetic acid [(E)-2-methylol-4-phosphonato-but-3-enyl] ester Formula: C7H11O6P-2 MolecularWeight: 222.132401

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CO)C=CP(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OCC(CO)/C=C/P(=O)([O-])[O-]

InChI

InChI=1S/C7H13O6P/c1-6(9)13-5-7(4-8)2-3-14(10,11)12/h2-3,7-8H,4-5H2,1H3,(H2,10,11,12)/p-2/b3-2+