methyl (1R,5S)-2-(2-bromophenyl)-5-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,5S)-2-(2-bromophenyl)-5-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,5S)-2-(2-bromophenyl)-5-hydroxy-cyclohexanecarboxylate CAS Name: (1R,5S)-2-(2-bromophenyl)-5-hydroxy-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-2-(2-bromophenyl)-5-hydroxycyclohexane-1-carboxylate Traditional Name: (1R,5S)-2-(2-bromophenyl)-5-hydroxy-cyclohexanecarboxylic acid methyl ester Formula: C14H17BrO3 MolecularWeight: 313.18698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1C2=CC=CC=C2Br)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CCC1C2=CC=CC=C2Br)O

InChI

InChI=1S/C14H17BrO3/c1-18-14(17)12-8-9(16)6-7-10(12)11-4-2-3-5-13(11)15/h2-5,9-10,12,16H,6-8H2,1H3/t9-,10?,12+/m0/s1