[(2R,3S,4S)-3,4-bis(oxidanyl)hex-5-yn-2-yl] benzoate

Systemtic Name: [(2R,3S,4S)-3,4-bis(oxidanyl)hex-5-yn-2-yl] benzoate Openeye Name: [(1R,2S,3S)-2,3-dihydroxy-1-methyl-pent-4-ynyl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-3,4-dihydroxyhex-5-yn-2-yl] ester IUPAC Name: [(2R,3S,4S)-3,4-dihydroxyhex-5-yn-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,3S)-2,3-dihydroxy-1-methyl-pent-4-ynyl] ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C#C)O)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-3-11(14)12(15)9(2)17-13(16)10-7-5-4-6-8-10/h1,4-9,11-12,14-15H,2H3/t9-,11+,12-/m1/s1