[(2R,3R,4R)-5-bromanyl-3,4-bis-(4-methylphenyl)sulfonyloxy-thiolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R)-5-bromanyl-3,4-bis-(4-methylphenyl)sulfonyloxy-thiolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R)-5-bromo-3,4-bis(p-tolylsulfonyloxy)tetrahydrothiophen-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R)-5-bromo-3,4-bis-(4-methylphenyl)sulfonyloxy-2-thiolanyl]methyl ester IUPAC Name: [(2R,3R,4R)-5-bromo-3,4-bis-(4-methylphenyl)sulfonyloxythiolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R)-5-bromo-3,4-ditosyloxy-tetrahydrothiophen-2-yl]methyl ester Formula: C21H23BrO8S3 MolecularWeight: 579.50152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(SC(C2OS(=O)(=O)C3=CC=C(C=C3)C)Br)COC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@H](SC([C@@H]2OS(=O)(=O)C3=CC=C(C=C3)C)Br)COC(=O)C

InChI

InChI=1S/C21H23BrO8S3/c1-13-4-8-16(9-5-13)32(24,25)29-19-18(12-28-15(3)23)31-21(22)20(19)30-33(26,27)17-10-6-14(2)7-11-17/h4-11,18-21H,12H2,1-3H3/t18-,19+,20-,21?/m1/s1