(1S,2S)-2-[(R)-(5-bromanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(5-bromanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-(5-bromo-2-methoxy-phenyl)-hydroxy-methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-(5-bromo-2-methoxyphenyl)-hydroxymethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-(5-bromo-2-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-(5-bromo-2-methoxy-phenyl)-hydroxy-methyl]cyclohexanecarboxylate Formula: C15H18BrO4- MolecularWeight: 342.20502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C15H19BrO4/c1-20-13-7-6-9(16)8-12(13)14(17)10-4-2-3-5-11(10)15(18)19/h6-8,10-11,14,17H,2-5H2,1H3,(H,18,19)/p-1/t10-,11-,14+/m0/s1