3-bromanyloxy-3,4,5-tris(oxidanyl)-2-[(E)-3-phenylprop-2-enoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 3-bromanyloxy-3,4,5-tris(oxidanyl)-2-[(E)-3-phenylprop-2-enoyl]cyclohexene-1-carboxylic acid Openeye Name: 3-bromooxy-3,4,5-trihydroxy-2-[(E)-3-phenylprop-2-enoyl]cyclohexene-1-carboxylic acid CAS Name: 3-bromooxy-3,4,5-trihydroxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-cyclohexenecarboxylic acid IUPAC Name: 3-bromooxy-3,4,5-trihydroxy-2-[(E)-3-phenylprop-2-enoyl]cyclohexene-1-carboxylic acid Traditional Name: 3-bromooxy-3,4,5-trihydroxy-2-[(E)-3-phenylacryloyl]cyclohexene-1-carboxylic acid Formula: C16H15BrO7 MolecularWeight: 399.1901

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(=C1C(=O)O)C(=O)C=CC2=CC=CC=C2)(O)OBr)O)O

Isomeric SMILES

C1C(C(C(C(=C1C(=O)O)C(=O)/C=C/C2=CC=CC=C2)(O)OBr)O)O

InChI

InChI=1S/C16H15BrO7/c17-24-16(23)13(10(15(21)22)8-12(19)14(16)20)11(18)7-6-9-4-2-1-3-5-9/h1-7,12,14,19-20,23H,8H2,(H,21,22)/b7-6+