[(1R,2S,3R,4R)-2,3-bis(oxidanyl)-4-phenylmethoxy-cyclohexyl] 4-bromanylbenzoate

Systemtic Name: [(1R,2S,3R,4R)-2,3-bis(oxidanyl)-4-phenylmethoxy-cyclohexyl] 4-bromanylbenzoate Openeye Name: [(1R,2S,3R,4R)-4-benzyloxy-2,3-dihydroxy-cyclohexyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1R,2S,3R,4R)-2,3-dihydroxy-4-phenylmethoxycyclohexyl] ester IUPAC Name: [(1R,2S,3R,4R)-2,3-dihydroxy-4-phenylmethoxycyclohexyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,2S,3R,4R)-4-benzoxy-2,3-dihydroxy-cyclohexyl] ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1OCC2=CC=CC=C2)O)O)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@H]([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)O)O)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrO5/c21-15-8-6-14(7-9-15)20(24)26-17-11-10-16(18(22)19(17)23)25-12-13-4-2-1-3-5-13/h1-9,16-19,22-23H,10-12H2/t16-,17-,18+,19-/m1/s1