(1-diethoxyphosphoryloxy-2-iodanyl-ethyl) benzoate

Systemtic Name: (1-diethoxyphosphoryloxy-2-iodanyl-ethyl) benzoate Openeye Name: (1-diethoxyphosphoryloxy-2-iodo-ethyl) benzoate CAS Name: benzoic acid (1-diethoxyphosphoryloxy-2-iodoethyl) ester IUPAC Name: (1-diethoxyphosphoryloxy-2-iodoethyl) benzoate Traditional Name: benzoic acid (1-diethoxyphosphoryloxy-2-iodo-ethyl) ester Formula: C13H18IO6P MolecularWeight: 428.156651

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC(CI)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOP(=O)(OCC)OC(CI)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18IO6P/c1-3-17-21(16,18-4-2)20-12(10-14)19-13(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3