(2E)-2-(chloranylmethylidene)-3-phosphono-butanoate

Systemtic Name: (2E)-2-(chloranylmethylidene)-3-phosphono-butanoate Openeye Name: (2E)-2-(chloromethylene)-3-phosphono-butanoate CAS Name: (2E)-2-(chloromethylidene)-3-phosphonobutanoate IUPAC Name: (2E)-2-(chloromethylidene)-3-phosphonobutanoate Traditional Name: (E)-3-chloro-2-(1-phosphonoethyl)acrylate Formula: C5H7ClO5P- MolecularWeight: 213.532841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CCl)C(=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(/C(=C/Cl)/C(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C5H8ClO5P/c1-3(12(9,10)11)4(2-6)5(7)8/h2-3H,1H3,(H,7,8)(H2,9,10,11)/p-1/b4-2-