[(1S,2R,4R,6S)-2-acetyloxy-4-(acetyloxymethyl)-6-bromanyl-4-oxidanyl-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,4R,6S)-2-acetyloxy-4-(acetyloxymethyl)-6-bromanyl-4-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1S,2R,4R,6S)-2-acetoxy-4-(acetoxymethyl)-6-bromo-4-hydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,4R,6S)-2-acetyloxy-4-(acetyloxymethyl)-6-bromo-4-hydroxycyclohexyl] ester IUPAC Name: [(1S,2R,4R,6S)-2-acetyloxy-4-(acetyloxymethyl)-6-bromo-4-hydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,4R,6S)-2-acetoxy-4-(acetoxymethyl)-6-bromo-4-hydroxy-cyclohexyl] ester Formula: C18H21BrO7 MolecularWeight: 429.25914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC(C(C(C1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C)O

Isomeric SMILES

CC(=O)OC[C@]1(C[C@H]([C@@H]([C@H](C1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C)O

InChI

InChI=1S/C18H21BrO7/c1-11(20)24-10-18(23)8-14(19)16(15(9-18)25-12(2)21)26-17(22)13-6-4-3-5-7-13/h3-7,14-16,23H,8-10H2,1-2H3/t14-,15+,16+,18-/m0/s1