[(2S)-2-(methoxymethoxy)but-3-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(methoxymethoxy)but-3-ynyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(methoxymethoxy)but-3-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(methoxymethoxy)but-3-ynyl] ester IUPAC Name: [(2S)-2-(methoxymethoxy)but-3-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(methoxymethoxy)but-3-ynyl] ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C#C)OCOC

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5S/c1-4-12(17-10-16-3)9-18-19(14,15)13-7-5-11(2)6-8-13/h1,5-8,12H,9-10H2,2-3H3/t12-/m0/s1