2-bromanyl-5-phenethylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-phenethylsulfonyl-benzoic acid Openeye Name: 2-bromo-5-phenethylsulfonyl-benzoic acid CAS Name: 2-bromo-5-phenethylsulfonylbenzoic acid IUPAC Name: 2-bromo-5-phenethylsulfonylbenzoic acid Traditional Name: 2-bromo-5-phenethylsulfonyl-benzoic acid Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H13BrO4S/c16-14-7-6-12(10-13(14)15(17)18)21(19,20)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)