[(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyl-oxan-4-yl] 4-bromanylbenzoate

Systemtic Name: [(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyl-oxan-4-yl] 4-bromanylbenzoate Openeye Name: [(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyl-tetrahydropyran-4-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyloxan-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2R,3R,4R,5S,6S)-2,3,5-trimethoxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C16H21BrO6 MolecularWeight: 389.23834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrO6/c1-9-12(19-2)13(14(20-3)16(21-4)22-9)23-15(18)10-5-7-11(17)8-6-10/h5-9,12-14,16H,1-4H3/t9-,12-,13+,14+,16+/m0/s1