[(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] ester IUPAC Name: [(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S,5S)-1-methyl-5-phenyl-6-oxabicyclo[3.1.0]hexan-2-yl] ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C2(O3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@@]3([C@]2(O3)C)C4=CC=CC=C4

InChI

InChI=1S/C19H20O4S/c1-14-8-10-16(11-9-14)24(20,21)22-17-12-13-19(18(17,2)23-19)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3/t17-,18-,19-/m0/s1