[(1R,4S,5S)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,4S,5S)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,4S,5S)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,4S,5S)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] ester IUPAC Name: [(1R,4S,5S)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,4S,5S)-5-amyl-1-methyl-6-oxabicyclo[3.1.0]hexan-4-yl] ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12C(CCC1(O2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC[C@]12[C@H](CC[C@]1(O2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H26O4S/c1-4-5-6-12-18-16(11-13-17(18,3)22-18)21-23(19,20)15-9-7-14(2)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3/t16-,17+,18-/m0/s1