[(2R,3S,4R)-4-methyl-2-methylsulfonyloxy-3-phenylmethoxy-hex-5-enyl] benzoate

Systemtic Name: [(2R,3S,4R)-4-methyl-2-methylsulfonyloxy-3-phenylmethoxy-hex-5-enyl] benzoate Openeye Name: [(2R,3S,4R)-3-benzyloxy-4-methyl-2-methylsulfonyloxy-hex-5-enyl] benzoate CAS Name: benzoic acid [(2R,3S,4R)-4-methyl-2-methylsulfonyloxy-3-phenylmethoxyhex-5-enyl] ester IUPAC Name: [(2R,3S,4R)-4-methyl-2-methylsulfonyloxy-3-phenylmethoxyhex-5-enyl] benzoate Traditional Name: benzoic acid [(2R,3S,4R)-3-benzoxy-4-methyl-2-methylsulfonyloxy-hex-5-enyl] ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(COC(=O)C1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C=C)[C@@H]([C@@H](COC(=O)C1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26O6S/c1-4-17(2)21(26-15-18-11-7-5-8-12-18)20(28-29(3,24)25)16-27-22(23)19-13-9-6-10-14-19/h4-14,17,20-21H,1,15-16H2,2-3H3/t17-,20-,21+/m1/s1