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5-bromanyl-2-methylsulfonyl-benzoic acid

5-bromanyl-2-methylsulfonyl-benzoic acid

Systemtic Name:5-bromanyl-2-methylsulfonyl-benzoic acid
Openeye Name:5-bromo-2-methylsulfonyl-benzoic acid
CAS Name:5-bromo-2-methylsulfonylbenzoic acid
IUPAC Name:5-bromo-2-methylsulfonylbenzoic acid
Traditional Name:5-bromo-2-mesyl-benzoic acid
Formula: C8H7BrO4S
MolecularWeight: 279.10778
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)Br)C(=O)O


Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)Br)C(=O)O


InChI

InChI=1S/C8H7BrO4S/c1-14(12,13)7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)


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