(2-ethanoyl-3,5-dimethoxy-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-ethanoyl-3,5-dimethoxy-phenyl) 4-bromanylbenzenesulfonate Openeye Name: (2-acetyl-3,5-dimethoxy-phenyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (2-acetyl-3,5-dimethoxyphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethoxyphenyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-acetyl-3,5-dimethoxy-phenyl) ester Formula: C16H15BrO6S MolecularWeight: 415.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1OS(=O)(=O)C2=CC=C(C=C2)Br)OC)OC

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1OS(=O)(=O)C2=CC=C(C=C2)Br)OC)OC

InChI

InChI=1S/C16H15BrO6S/c1-10(18)16-14(22-3)8-12(21-2)9-15(16)23-24(19,20)13-6-4-11(17)5-7-13/h4-9H,1-3H3