[(1S,2S,5S,6R)-3-bromanyl-5-methoxy-6-phenylmethoxy-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate

Systemtic Name: [(1S,2S,5S,6R)-3-bromanyl-5-methoxy-6-phenylmethoxy-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2S,5S,6R)-6-benzyloxy-3-bromo-5-methoxy-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate CAS Name: sulfuric acid [(1S,2S,5S,6R)-3-bromo-5-methoxy-6-phenylmethoxy-2-sulfooxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S,5S,6R)-3-bromo-5-methoxy-6-phenylmethoxy-2-sulfooxycyclohex-3-en-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,2S,5S,6R)-6-benzoxy-3-bromo-5-methoxy-2-sulfoxy-cyclohex-3-en-1-yl] ester Formula: C14H17BrO10S2 MolecularWeight: 489.31278

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(C(C(C1OCC2=CC=CC=C2)OS(=O)(=O)O)OS(=O)(=O)O)Br

Isomeric SMILES

CO[C@H]1C=C([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OS(=O)(=O)O)OS(=O)(=O)O)Br

InChI

InChI=1S/C14H17BrO10S2/c1-22-11-7-10(15)12(24-26(16,17)18)14(25-27(19,20)21)13(11)23-8-9-5-3-2-4-6-9/h2-7,11-14H,8H2,1H3,(H,16,17,18)(H,19,20,21)/t11-,12+,13+,14+/m0/s1