diethyl [(3S)-oct-1-yn-3-yl] phosphate

Systemtic Name: diethyl [(3S)-oct-1-yn-3-yl] phosphate Openeye Name: diethyl [(1S)-1-ethynylhexyl] phosphate CAS Name: phosphoric acid diethyl [(3S)-oct-1-yn-3-yl] ester IUPAC Name: diethyl [(3S)-oct-1-yn-3-yl] phosphate Traditional Name: phosphoric acid [(1S)-1-amylprop-2-ynyl] diethyl ester Formula: C12H23O4P MolecularWeight: 262.282381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#C)OP(=O)(OCC)OCC

Isomeric SMILES

CCCCC[C@@H](C#C)OP(=O)(OCC)OCC

InChI

InChI=1S/C12H23O4P/c1-5-9-10-11-12(6-2)16-17(13,14-7-3)15-8-4/h2,12H,5,7-11H2,1,3-4H3/t12-/m1/s1