[(1S,2S,3R,4R,5S)-2-(4-methylphenyl)sulfonyloxy-4-(phenylcarbonyloxy)-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [(1S,2S,3R,4R,5S)-2-(4-methylphenyl)sulfonyloxy-4-(phenylcarbonyloxy)-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [(1S,2S,3R,4R,5S)-4-benzoyloxy-2-(p-tolylsulfonyloxy)-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [(1S,2S,3R,4R,5S)-4-benzoyloxy-2-(4-methylphenyl)sulfonyloxy-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,2S,3R,4R,5S)-4-benzoyloxy-2-(4-methylphenyl)sulfonyloxy-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3R,4R,5S)-4-benzoyloxy-2-tosyloxy-8-oxa-6-thiabicyclo[3.2.1]octan-3-yl] ester Formula: C27H24O8S2 MolecularWeight: 540.60466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CSC(O3)C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]3CS[C@H](O3)[C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24O8S2/c1-17-12-14-20(15-13-17)37(30,31)35-22-21-16-36-27(32-21)24(34-26(29)19-10-6-3-7-11-19)23(22)33-25(28)18-8-4-2-5-9-18/h2-15,21-24,27H,16H2,1H3/t21-,22-,23+,24-,27+/m1/s1