4-bromanyl-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-isobutylsulfonyl-benzoic acid CAS Name: 4-bromo-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-isobutylsulfonyl-benzoic acid Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrO4S/c1-7(2)6-17(15,16)10-5-8(11(13)14)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)