methyl (3R,4R)-4-(4-bromophenyl)-2-oxidanylidene-oxane-3-carboxylate

Systemtic Name: methyl (3R,4R)-4-(4-bromophenyl)-2-oxidanylidene-oxane-3-carboxylate Openeye Name: methyl (3R,4R)-4-(4-bromophenyl)-2-oxo-tetrahydropyran-3-carboxylate CAS Name: (3R,4R)-4-(4-bromophenyl)-2-oxo-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-4-(4-bromophenyl)-2-oxooxane-3-carboxylate Traditional Name: (3R,4R)-4-(4-bromophenyl)-2-keto-tetrahydropyran-3-carboxylic acid methyl ester Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCOC1=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H]1[C@@H](CCOC1=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrO4/c1-17-12(15)11-10(6-7-18-13(11)16)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3/t10-,11+/m0/s1