[(3S,6R)-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-hept-1-yn-3-yl] ethanoate

Systemtic Name: [(3S,6R)-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-hept-1-yn-3-yl] ethanoate Openeye Name: [(1S,4R)-1-ethynyl-4-hydroxy-5-(p-tolylsulfonyloxy)pentyl] acetate CAS Name: acetic acid [(3S,6R)-6-hydroxy-7-(4-methylphenyl)sulfonyloxyhept-1-yn-3-yl] ester IUPAC Name: [(3S,6R)-6-hydroxy-7-(4-methylphenyl)sulfonyloxyhept-1-yn-3-yl] acetate Traditional Name: acetic acid [(1S)-1-[(3R)-3-hydroxy-4-tosyloxy-butyl]prop-2-ynyl] ester Formula: C16H20O6S MolecularWeight: 340.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC(C#C)OC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CC[C@@H](C#C)OC(=O)C)O

InChI

InChI=1S/C16H20O6S/c1-4-15(22-13(3)17)8-7-14(18)11-21-23(19,20)16-9-5-12(2)6-10-16/h1,5-6,9-10,14-15,18H,7-8,11H2,2-3H3/t14-,15-/m1/s1