[(1R,2R,3R,5R)-3-acetyloxy-5-(acetyloxymethyl)-2-bromanyl-5-oxidanyl-cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3R,5R)-3-acetyloxy-5-(acetyloxymethyl)-2-bromanyl-5-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1R,2R,3R,5R)-3-acetoxy-5-(acetoxymethyl)-2-bromo-5-hydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3R,5R)-3-acetyloxy-5-(acetyloxymethyl)-2-bromo-5-hydroxycyclohexyl] ester IUPAC Name: [(1R,2R,3R,5R)-3-acetyloxy-5-(acetyloxymethyl)-2-bromo-5-hydroxycyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3R,5R)-3-acetoxy-5-(acetoxymethyl)-2-bromo-5-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)OC(=O)C2=CC=CC=C2)Br)OC(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO7/c1-11(20)24-10-18(23)8-14(25-12(2)21)16(19)15(9-18)26-17(22)13-6-4-3-5-7-13/h3-7,14-16,23H,8-10H2,1-2H3/t14-,15-,16-,18-/m1/s1