3-[4-(bromomethyl)-3-diethoxyphosphoryl-phenyl]propanoic acid

Systemtic Name: 3-[4-(bromomethyl)-3-diethoxyphosphoryl-phenyl]propanoic acid Openeye Name: 3-[4-(bromomethyl)-3-diethoxyphosphoryl-phenyl]propanoic acid CAS Name: 3-[4-(bromomethyl)-3-diethoxyphosphorylphenyl]propanoic acid IUPAC Name: 3-[4-(bromomethyl)-3-diethoxyphosphorylphenyl]propanoic acid Traditional Name: 3-[4-(bromomethyl)-3-diethoxyphosphoryl-phenyl]propionic acid Formula: C14H20BrO5P MolecularWeight: 379.183361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=CC(=C1)CCC(=O)O)CBr)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C=CC(=C1)CCC(=O)O)CBr)OCC

InChI

InChI=1S/C14H20BrO5P/c1-3-19-21(18,20-4-2)13-9-11(6-8-14(16)17)5-7-12(13)10-15/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,17)