3-bromanylbutan-2-one; 3-sulfonylpropanoic acid

Systemtic Name: 3-bromanylbutan-2-one; 3-sulfonylpropanoic acid Openeye Name: 3-bromobutan-2-one; 3-sulfonylpropanoic acid CAS Name: 3-bromo-2-butanone; 3-sulfonylpropanoic acid IUPAC Name: 3-bromobutan-2-one; 3-sulfonylpropanoic acid Traditional Name: 3-bromobutan-2-one; 3-sulfonylpropionic acid Formula: C7H11BrO5S MolecularWeight: 287.12824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)Br.C(C=S(=O)=O)C(=O)O

Isomeric SMILES

CC(C(=O)C)Br.C(C=S(=O)=O)C(=O)O

InChI

InChI=1S/C4H7BrO.C3H4O4S/c1-3(5)4(2)6;4-3(5)1-2-8(6)7/h3H,1-2H3;2H,1H2,(H,4,5)