[(2S,3R,4S,5R)-3-methoxy-2,4-dimethyl-5-oxidanyl-oct-7-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R,4S,5R)-3-methoxy-2,4-dimethyl-5-oxidanyl-oct-7-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R,4S,5R)-5-hydroxy-3-methoxy-2,4-dimethyl-oct-7-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4S,5R)-5-hydroxy-3-methoxy-2,4-dimethyloct-7-enyl] ester IUPAC Name: [(2S,3R,4S,5R)-5-hydroxy-3-methoxy-2,4-dimethyloct-7-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R,4S,5R)-5-hydroxy-3-methoxy-2,4-dimethyl-oct-7-enyl] ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(C(C)C(CC=C)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@H]([C@@H](C)[C@@H](CC=C)O)OC

InChI

InChI=1S/C18H28O5S/c1-6-7-17(19)15(4)18(22-5)14(3)12-23-24(20,21)16-10-8-13(2)9-11-16/h6,8-11,14-15,17-19H,1,7,12H2,2-5H3/t14-,15-,17+,18+/m0/s1