4-bromanyl-3-[(2-methylphenyl)methylsulfonyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[(2-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 4-bromo-3-(o-tolylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-[(2-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-bromo-3-[(2-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 4-bromo-3-(2-methylbenzyl)sulfonyl-benzoic acid Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C15H13BrO4S/c1-10-4-2-3-5-12(10)9-21(19,20)14-8-11(15(17)18)6-7-13(14)16/h2-8H,9H2,1H3,(H,17,18)