[(E,2S)-2-(2-bromanyl-1-ethoxy-ethoxy)-4-diethoxyphosphinothioyl-but-3-enyl] benzoate

Systemtic Name: [(E,2S)-2-(2-bromanyl-1-ethoxy-ethoxy)-4-diethoxyphosphinothioyl-but-3-enyl] benzoate Openeye Name: [(E,2S)-2-(2-bromo-1-ethoxy-ethoxy)-4-diethoxyphosphinothioyl-but-3-enyl] benzoate CAS Name: benzoic acid [(E,2S)-2-(2-bromo-1-ethoxyethoxy)-4-diethoxyphosphinothioylbut-3-enyl] ester IUPAC Name: [(E,2S)-2-(2-bromo-1-ethoxyethoxy)-4-diethoxyphosphinothioylbut-3-enyl] benzoate Traditional Name: benzoic acid [(E,2S)-2-(2-bromo-1-ethoxy-ethoxy)-4-diethoxythiophosphoryl-but-3-enyl] ester Formula: C19H28BrO6PS MolecularWeight: 495.364781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CBr)OC(COC(=O)C1=CC=CC=C1)C=CP(=S)(OCC)OCC

Isomeric SMILES

CCOC(CBr)O[C@H](COC(=O)C1=CC=CC=C1)/C=C/P(=S)(OCC)OCC

InChI

InChI=1S/C19H28BrO6PS/c1-4-22-18(14-20)26-17(12-13-27(28,24-5-2)25-6-3)15-23-19(21)16-10-8-7-9-11-16/h7-13,17-18H,4-6,14-15H2,1-3H3/b13-12+/t17-,18?/m0/s1