[(2S,3R,4S,5R,6S)-2-(bromomethyl)-4-ethanoylsulfanyl-6-methoxy-5-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5R,6S)-2-(bromomethyl)-4-ethanoylsulfanyl-6-methoxy-5-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6S)-4-acetylsulfanyl-5-benzyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6S)-4-(acetylthio)-2-(bromomethyl)-6-methoxy-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6S)-4-acetylsulfanyl-2-(bromomethyl)-6-methoxy-5-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6S)-4-(acetylthio)-5-benzoxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] ester Formula: C23H25BrO6S MolecularWeight: 509.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(C(OC(C1OCC2=CC=CC=C2)OC)CBr)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)S[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)OC)CBr)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25BrO6S/c1-15(25)31-21-19(30-22(26)17-11-7-4-8-12-17)18(13-24)29-23(27-2)20(21)28-14-16-9-5-3-6-10-16/h3-12,18-21,23H,13-14H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1