2-bromanyl-5-[(2-methylphenyl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(2-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-(o-tolylmethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-[(2-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(2-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-(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=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

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

InChI

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