[(2R,3S)-2,3-bis(phenylmethoxy)hex-5-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-2,3-bis(phenylmethoxy)hex-5-ynyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2,3-dibenzyloxyhex-5-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2,3-bis(phenylmethoxy)hex-5-ynyl] ester IUPAC Name: [(2R,3S)-2,3-bis(phenylmethoxy)hex-5-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2,3-dibenzoxyhex-5-ynyl] ester Formula: C27H28O5S MolecularWeight: 464.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC#C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H](CC#C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O5S/c1-3-10-26(30-19-23-11-6-4-7-12-23)27(31-20-24-13-8-5-9-14-24)21-32-33(28,29)25-17-15-22(2)16-18-25/h1,4-9,11-18,26-27H,10,19-21H2,2H3/t26-,27+/m0/s1