[(2S,3S)-2-methoxy-1-phenyl-hex-4-yn-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methoxy-1-phenyl-hex-4-yn-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-methoxy-2-phenyl-ethyl]but-2-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-methoxy-1-phenylhex-4-yn-3-yl] ester IUPAC Name: [(2S,3S)-2-methoxy-1-phenylhex-4-yn-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-methoxy-2-phenyl-ethyl]but-2-ynyl] ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(CC1=CC=CC=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC#C[C@@H]([C@H](CC1=CC=CC=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H22O4S/c1-4-8-19(20(23-3)15-17-9-6-5-7-10-17)24-25(21,22)18-13-11-16(2)12-14-18/h5-7,9-14,19-20H,15H2,1-3H3/t19-,20-/m0/s1