[(4S)-4-oxidanylnon-2-ynyl] benzoate

Systemtic Name: [(4S)-4-oxidanylnon-2-ynyl] benzoate Openeye Name: [(4S)-4-hydroxynon-2-ynyl] benzoate CAS Name: benzoic acid [(4S)-4-hydroxynon-2-ynyl] ester IUPAC Name: [(4S)-4-hydroxynon-2-ynyl] benzoate Traditional Name: benzoic acid [(4S)-4-hydroxynon-2-ynyl] ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCC[C@@H](C#CCOC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C16H20O3/c1-2-3-5-11-15(17)12-8-13-19-16(18)14-9-6-4-7-10-14/h4,6-7,9-10,15,17H,2-3,5,11,13H2,1H3/t15-/m0/s1