[(2R,3S,6S)-6-[(1R)-2-acetyloxy-1-methylsulfonyloxy-ethyl]-2-but-3-enyl-2,6-dimethyl-oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,6S)-6-[(1R)-2-acetyloxy-1-methylsulfonyloxy-ethyl]-2-but-3-enyl-2,6-dimethyl-oxan-3-yl] benzoate Openeye Name: [(2R,3S,6S)-6-[(1R)-2-acetoxy-1-methylsulfonyloxy-ethyl]-2-but-3-enyl-2,6-dimethyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,6S)-6-[(1R)-2-acetyloxy-1-methylsulfonyloxyethyl]-2-but-3-enyl-2,6-dimethyl-3-oxanyl] ester IUPAC Name: [(2R,3S,6S)-6-[(1R)-2-acetyloxy-1-methylsulfonyloxyethyl]-2-but-3-enyl-2,6-dimethyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,6S)-6-[(1R)-2-acetoxy-1-methylsulfonyloxy-ethyl]-2-but-3-enyl-2,6-dimethyl-tetrahydropyran-3-yl] ester Formula: C23H32O8S MolecularWeight: 468.56038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1(CCC(C(O1)(C)CCC=C)OC(=O)C2=CC=CC=C2)C)OS(=O)(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@@]1(CC[C@@H]([C@@](O1)(C)CCC=C)OC(=O)C2=CC=CC=C2)C)OS(=O)(=O)C

InChI

InChI=1S/C23H32O8S/c1-6-7-14-22(3)19(29-21(25)18-11-9-8-10-12-18)13-15-23(4,31-22)20(16-28-17(2)24)30-32(5,26)27/h6,8-12,19-20H,1,7,13-16H2,2-5H3/t19-,20+,22+,23-/m0/s1