[(2S,3R)-2-oxidanyl-3-pent-1-yn-3-yloxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-2-oxidanyl-3-pent-1-yn-3-yloxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-(1-ethylprop-2-ynoxy)-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-pent-1-yn-3-yloxybutyl] ester IUPAC Name: [(2S,3R)-2-hydroxy-3-pent-1-yn-3-yloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-(1-ethylprop-2-ynoxy)-2-hydroxy-butyl] ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S/c1-5-14(6-2)21-13(4)16(17)11-20-22(18,19)15-9-7-12(3)8-10-15/h1,7-10,13-14,16-17H,6,11H2,2-4H3/t13-,14?,16+/m1/s1