ethyl 4-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)sulfonylbenzoate

Systemtic Name: ethyl 4-(2-bromanyl-4-cyano-6-ethoxy-phenoxy)sulfonylbenzoate Openeye Name: ethyl 4-(2-bromo-4-cyano-6-ethoxy-phenoxy)sulfonylbenzoate CAS Name: 4-(2-bromo-4-cyano-6-ethoxyphenoxy)sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-4-cyano-6-ethoxyphenoxy)sulfonylbenzoate Traditional Name: 4-(2-bromo-4-cyano-6-ethoxy-phenoxy)sulfonylbenzoic acid ethyl ester Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO6S/c1-3-24-16-10-12(11-20)9-15(19)17(16)26-27(22,23)14-7-5-13(6-8-14)18(21)25-4-2/h5-10H,3-4H2,1-2H3