(2-ethanoyl-4-methyl-phenyl) 3-bromanyl-4-methoxy-benzenesulfonate

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 3-bromanyl-4-methoxy-benzenesulfonate Openeye Name: (2-acetyl-4-methyl-phenyl) 3-bromo-4-methoxy-benzenesulfonate CAS Name: 3-bromo-4-methoxybenzenesulfonic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 3-bromo-4-methoxybenzenesulfonate Traditional Name: 3-bromo-4-methoxy-benzenesulfonic acid (2-acetyl-4-methyl-phenyl) ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)Br)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)Br)C(=O)C

InChI

InChI=1S/C16H15BrO5S/c1-10-4-6-15(13(8-10)11(2)18)22-23(19,20)12-5-7-16(21-3)14(17)9-12/h4-9H,1-3H3