ethyl 3-bromanyl-4-(4-propanoylphenoxy)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(4-propanoylphenoxy)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-(4-propanoylphenoxy)sulfonyl-benzoate CAS Name: 3-bromo-4-[4-(1-oxopropyl)phenoxy]sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-propanoylphenoxy)sulfonylbenzoate Traditional Name: 3-bromo-4-(4-propionylphenoxy)sulfonyl-benzoic acid ethyl ester Formula: C18H17BrO6S MolecularWeight: 441.29298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C18H17BrO6S/c1-3-16(20)12-5-8-14(9-6-12)25-26(22,23)17-10-7-13(11-15(17)19)18(21)24-4-2/h5-11H,3-4H2,1-2H3