2-[(2S,3R,6S)-4-bromanyl-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]ethanoic acid

Systemtic Name: 2-[(2S,3R,6S)-4-bromanyl-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]ethanoic acid Openeye Name: 2-[(2S,3R,6S)-4-bromo-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid CAS Name: 2-[(2S,3R,6S)-4-bromo-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid IUPAC Name: 2-[(2S,3R,6S)-4-bromo-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid Traditional Name: 2-[(2S,3R,6S)-4-bromo-2-methyl-3-methylsulfonyloxy-3,6-dihydro-2H-pyran-6-yl]acetic acid Formula: C9H13BrO6S MolecularWeight: 329.16492

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=CC(O1)CC(=O)O)Br)OS(=O)(=O)C

Isomeric SMILES

C[C@H]1[C@H](C(=C[C@@H](O1)CC(=O)O)Br)OS(=O)(=O)C

InChI

InChI=1S/C9H13BrO6S/c1-5-9(16-17(2,13)14)7(10)3-6(15-5)4-8(11)12/h3,5-6,9H,4H2,1-2H3,(H,11,12)/t5-,6+,9+/m0/s1