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

Systemtic Name: [(1S,2S,5R,6R)-3-bromanyl-6-methoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2S,5R,6R)-3-bromo-6-methoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate CAS Name: sulfuric acid [(1S,2S,5R,6R)-3-bromo-6-methoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S,5R,6R)-3-bromo-6-methoxy-5-(1H-pyrrol-3-yl)-2-sulfooxycyclohex-3-en-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,2S,5R,6R)-3-bromo-6-methoxy-5-(1H-pyrrol-3-yl)-2-sulfoxy-cyclohex-3-en-1-yl] ester Formula: C11H14BrNO9S2 MolecularWeight: 448.26416

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C=C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)Br)C2=CNC=C2

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO9S2/c1-20-9-7(6-2-3-13-5-6)4-8(12)10(21-23(14,15)16)11(9)22-24(17,18)19/h2-5,7,9-11,13H,1H3,(H,14,15,16)(H,17,18,19)/t7-,9-,10-,11+/m1/s1