methyl 4-[(E)-4-diethoxyphosphorylbut-2-en-2-yl]benzoate

Systemtic Name: methyl 4-[(E)-4-diethoxyphosphorylbut-2-en-2-yl]benzoate Openeye Name: methyl 4-[(E)-3-diethoxyphosphoryl-1-methyl-prop-1-enyl]benzoate CAS Name: 4-[(E)-4-diethoxyphosphorylbut-2-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-diethoxyphosphorylbut-2-en-2-yl]benzoate Traditional Name: 4-[(E)-3-diethoxyphosphoryl-1-methyl-prop-1-enyl]benzoic acid methyl ester Formula: C16H23O5P MolecularWeight: 326.324581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)(C/C=C(\C)/C1=CC=C(C=C1)C(=O)OC)OCC

InChI

InChI=1S/C16H23O5P/c1-5-20-22(18,21-6-2)12-11-13(3)14-7-9-15(10-8-14)16(17)19-4/h7-11H,5-6,12H2,1-4H3/b13-11+