methyl (2S,3S,5S,6S)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-5-methyl-3-oxidanyl-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,5S,6S)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-5-methyl-3-oxidanyl-oxane-2-carboxylate Openeye Name: methyl (2S,3S,5S,6S)-6-(3-benzyloxy-5-bromo-phenyl)-3-hydroxy-5-methyl-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,5S,6S)-6-(3-bromo-5-phenylmethoxyphenyl)-3-hydroxy-5-methyl-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5S,6S)-6-(3-bromo-5-phenylmethoxyphenyl)-3-hydroxy-5-methyloxane-2-carboxylate Traditional Name: (2S,3S,5S,6S)-6-(3-benzoxy-5-bromo-phenyl)-3-hydroxy-5-methyl-tetrahydropyran-2-carboxylic acid methyl ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1C2=CC(=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](O[C@@H]1C2=CC(=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C21H23BrO5/c1-13-8-18(23)20(21(24)25-2)27-19(13)15-9-16(22)11-17(10-15)26-12-14-6-4-3-5-7-14/h3-7,9-11,13,18-20,23H,8,12H2,1-2H3/t13-,18-,19-,20-/m0/s1