[(3S,4R,5S)-5-butyl-5-ethoxy-4-oxidanyl-2-oxidanylidene-oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4R,5S)-5-butyl-5-ethoxy-4-oxidanyl-2-oxidanylidene-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R,5S)-5-butyl-5-ethoxy-4-hydroxy-2-oxo-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R,5S)-5-butyl-5-ethoxy-4-hydroxy-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S,4R,5S)-5-butyl-5-ethoxy-4-hydroxy-2-oxooxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R,5S)-5-butyl-5-ethoxy-4-hydroxy-2-keto-tetrahydrofuran-3-yl] ester Formula: C17H24O7S MolecularWeight: 372.43326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C(C(=O)O1)OS(=O)(=O)C2=CC=C(C=C2)C)O)OCC

Isomeric SMILES

CCCC[C@]1([C@@H]([C@@H](C(=O)O1)OS(=O)(=O)C2=CC=C(C=C2)C)O)OCC

InChI

InChI=1S/C17H24O7S/c1-4-6-11-17(22-5-2)15(18)14(16(19)23-17)24-25(20,21)13-9-7-12(3)8-10-13/h7-10,14-15,18H,4-6,11H2,1-3H3/t14-,15+,17-/m0/s1