[(2S,3S,4S,6S)-6-butoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4S,6S)-6-butoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4S,6S)-6-butoxy-3-hydroxy-2-methyl-tetrahydropyran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4S,6S)-6-butoxy-3-hydroxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2S,3S,4S,6S)-6-butoxy-3-hydroxy-2-methyloxan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4S,6S)-6-butoxy-3-hydroxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C17H26O6S MolecularWeight: 358.44974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC(C(C(O1)C)O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26O6S/c1-4-5-10-21-16-11-15(17(18)13(3)22-16)23-24(19,20)14-8-6-12(2)7-9-14/h6-9,13,15-18H,4-5,10-11H2,1-3H3/t13-,15-,16-,17-/m0/s1