[2-bromanyl-5-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [2-bromanyl-5-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [3-benzoyloxy-2-bromo-5-hydroxy-5-(hydroxymethyl)cyclohexyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-bromo-5-hydroxy-5-(hydroxymethyl)cyclohexyl] ester IUPAC Name: [3-benzoyloxy-2-bromo-5-hydroxy-5-(hydroxymethyl)cyclohexyl] benzoate Traditional Name: benzoic acid (3-benzoyloxy-2-bromo-5-hydroxy-5-methylol-cyclohexyl) ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(CO)O)OC(=O)C2=CC=CC=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C(C(CC1(CO)O)OC(=O)C2=CC=CC=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrO6/c22-18-16(27-19(24)14-7-3-1-4-8-14)11-21(26,13-23)12-17(18)28-20(25)15-9-5-2-6-10-15/h1-10,16-18,23,26H,11-13H2