ethyl 3-bromanyl-4-(2-ethoxy-4-methanoyl-phenoxy)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(2-ethoxy-4-methanoyl-phenoxy)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-(2-ethoxy-4-formyl-phenoxy)sulfonyl-benzoate CAS Name: 3-bromo-4-(2-ethoxy-4-formylphenoxy)sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(2-ethoxy-4-formylphenoxy)sulfonylbenzoate Traditional Name: 3-bromo-4-(2-ethoxy-4-formyl-phenoxy)sulfonyl-benzoic acid ethyl ester Formula: C18H17BrO7S MolecularWeight: 457.29238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OS(=O)(=O)C2=C(C=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C18H17BrO7S/c1-3-24-16-9-12(11-20)5-7-15(16)26-27(22,23)17-8-6-13(10-14(17)19)18(21)25-4-2/h5-11H,3-4H2,1-2H3