[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] benzenesulfonate

Systemtic Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] benzenesulfonate Openeye Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] benzenesulfonate CAS Name: benzenesulfonic acid [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] ester IUPAC Name: [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynyl] ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CC#C)OS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@H](CC#C)OS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H18O5S/c1-4-8-13(14-11-18-15(2,3)19-14)20-21(16,17)12-9-6-5-7-10-12/h1,5-7,9-10,13-14H,8,11H2,2-3H3/t13-,14+/m0/s1