methyl (1R,4S,6S)-3-bromanyl-6-(hydroxymethyl)-4-oxidanyl-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R,4S,6S)-3-bromanyl-6-(hydroxymethyl)-4-oxidanyl-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R,4S,6S)-3-bromo-4-hydroxy-6-(hydroxymethyl)cyclohex-2-ene-1-carboxylate CAS Name: (1R,4S,6S)-3-bromo-4-hydroxy-6-(hydroxymethyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,4S,6S)-3-bromo-4-hydroxy-6-(hydroxymethyl)cyclohex-2-ene-1-carboxylate Traditional Name: (1R,4S,6S)-3-bromo-4-hydroxy-6-methylol-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C9H13BrO4 MolecularWeight: 265.10112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(C(CC1CO)O)Br

Isomeric SMILES

COC(=O)[C@H]1C=C([C@H](C[C@@H]1CO)O)Br

InChI

InChI=1S/C9H13BrO4/c1-14-9(13)6-3-7(10)8(12)2-5(6)4-11/h3,5-6,8,11-12H,2,4H2,1H3/t5-,6+,8+/m1/s1