methyl 3-(4-bromanyl-2-propanoyl-phenoxy)sulfonylbenzoate

Systemtic Name: methyl 3-(4-bromanyl-2-propanoyl-phenoxy)sulfonylbenzoate Openeye Name: methyl 3-(4-bromo-2-propanoyl-phenoxy)sulfonylbenzoate CAS Name: 3-[4-bromo-2-(1-oxopropyl)phenoxy]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-(4-bromo-2-propanoylphenoxy)sulfonylbenzoate Traditional Name: 3-(4-bromo-2-propionyl-phenoxy)sulfonylbenzoic acid methyl ester Formula: C17H15BrO6S MolecularWeight: 427.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO6S/c1-3-15(19)14-10-12(18)7-8-16(14)24-25(21,22)13-6-4-5-11(9-13)17(20)23-2/h4-10H,3H2,1-2H3