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

Systemtic Name: [(2R,3R,4S)-2-oxidanyl-3,4-bis(phenylmethoxy)hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4S)-3,4-dibenzyloxy-2-hydroxy-hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hex-5-enyl] ester IUPAC Name: [(2R,3R,4S)-2-hydroxy-3,4-bis(phenylmethoxy)hex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-3,4-dibenzoxy-2-hydroxy-hex-5-enyl] ester Formula: C27H30O6S MolecularWeight: 482.5885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O6S/c1-3-26(31-18-22-10-6-4-7-11-22)27(32-19-23-12-8-5-9-13-23)25(28)20-33-34(29,30)24-16-14-21(2)15-17-24/h3-17,25-28H,1,18-20H2,2H3/t25-,26+,27-/m1/s1