[(2S,3R,4R,5R,6R)-4-bromanyl-2-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R,6R)-4-bromanyl-2-methoxy-6-methyl-5-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6R)-4-bromo-5-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6R)-4-bromo-5-hydroxy-2-methoxy-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-4-bromo-5-hydroxy-2-methoxy-6-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6R)-4-bromo-5-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OC(=O)C2=CC=CC=C2)Br)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)OC(=O)C2=CC=CC=C2)Br)O

InChI

InChI=1S/C14H17BrO5/c1-8-11(16)10(15)12(14(18-2)19-8)20-13(17)9-6-4-3-5-7-9/h3-8,10-12,14,16H,1-2H3/t8-,10-,11-,12+,14+/m1/s1