[(2R,3S,4S,5S)-4-ethanoyl-2,4,5-trimethyl-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4S,5S)-4-ethanoyl-2,4,5-trimethyl-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R,3S,4S,5S)-4-acetyl-3-hydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4S,5S)-4-acetyl-3-hydroxy-2,4,5-trimethyl-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5S)-4-acetyl-3-hydroxy-2,4,5-trimethyloxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,4S,5S)-4-acetyl-3-hydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]methyl ester Formula: C17H24O6S MolecularWeight: 356.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)(C)COS(=O)(=O)C2=CC=C(C=C2)C)O)(C)C(=O)C

Isomeric SMILES

C[C@H]1[C@@]([C@@H]([C@@](O1)(C)COS(=O)(=O)C2=CC=C(C=C2)C)O)(C)C(=O)C

InChI

InChI=1S/C17H24O6S/c1-11-6-8-14(9-7-11)24(20,21)22-10-16(4)15(19)17(5,12(2)18)13(3)23-16/h6-9,13,15,19H,10H2,1-5H3/t13-,15+,16+,17+/m0/s1