[(2R,3S,4R)-4-acetyloxy-2-(4-methylphenyl)sulfonyloxy-1-oxidanylidene-hex-5-en-3-yl] benzoate

Systemtic Name: [(2R,3S,4R)-4-acetyloxy-2-(4-methylphenyl)sulfonyloxy-1-oxidanylidene-hex-5-en-3-yl] benzoate Openeye Name: [(1S,2R)-2-acetoxy-1-[(1R)-2-oxo-1-(p-tolylsulfonyloxy)ethyl]but-3-enyl] benzoate CAS Name: benzoic acid [(2R,3S,4R)-4-acetyloxy-2-(4-methylphenyl)sulfonyloxy-1-oxohex-5-en-3-yl] ester IUPAC Name: [(2R,3S,4R)-4-acetyloxy-2-(4-methylphenyl)sulfonyloxy-1-oxohex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-acetoxy-1-[(1R)-2-keto-1-tosyloxy-ethyl]but-3-enyl] ester Formula: C22H22O8S MolecularWeight: 446.47028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(C=C)OC(=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H22O8S/c1-4-19(28-16(3)24)21(29-22(25)17-8-6-5-7-9-17)20(14-23)30-31(26,27)18-12-10-15(2)11-13-18/h4-14,19-21H,1H2,2-3H3/t19-,20+,21+/m1/s1