[(2S,3R)-3-methoxy-2-oxidanyl-nonyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-methoxy-2-oxidanyl-nonyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-hydroxy-3-methoxy-nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-methoxynonyl] ester IUPAC Name: [(2S,3R)-2-hydroxy-3-methoxynonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-methoxy-nonyl] ester Formula: C17H28O5S MolecularWeight: 344.46622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)OC

Isomeric SMILES

CCCCCC[C@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)OC

InChI

InChI=1S/C17H28O5S/c1-4-5-6-7-8-17(21-3)16(18)13-22-23(19,20)15-11-9-14(2)10-12-15/h9-12,16-18H,4-8,13H2,1-3H3/t16-,17+/m0/s1