[(2R,3S)-1-ethoxy-1-oxidanylidene-3-phenyl-3-tetradecanoyloxy-propan-2-yl]azanium chloride

Systemtic Name: [(2R,3S)-1-ethoxy-1-oxidanylidene-3-phenyl-3-tetradecanoyloxy-propan-2-yl]azanium chloride Openeye Name: [(1R,2S)-1-ethoxycarbonyl-2-phenyl-2-tetradecanoyloxy-ethyl]ammonium chloride CAS Name: [(2R,3S)-1-ethoxy-1-oxo-3-(1-oxotetradecoxy)-3-phenylpropan-2-yl]ammonium chloride IUPAC Name: [(2R,3S)-1-ethoxy-1-oxo-3-phenyl-3-tetradecanoyloxypropan-2-yl]azanium chloride Traditional Name: [(1R,2S)-1-carbethoxy-2-phenyl-2-tetradecanoyloxy-ethyl]ammonium chloride Formula: C25H42ClNO4 MolecularWeight: 456.05828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(C1=CC=CC=C1)C(C(=O)OCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@@H](C1=CC=CC=C1)[C@H](C(=O)OCC)[NH3+].[Cl-]

InChI

InChI=1S/C25H41NO4.ClH/c1-3-5-6-7-8-9-10-11-12-13-17-20-22(27)30-24(21-18-15-14-16-19-21)23(26)25(28)29-4-2;/h14-16,18-19,23-24H,3-13,17,20,26H2,1-2H3;1H/t23-,24+;/m1./s1