[4-(phenylmethyl)sulfonylphenyl]methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (4-benzylsulfonylbenzyl) ester Formula: C21H17BrO5S MolecularWeight: 461.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H17BrO5S/c22-17-8-11-20(23)19(12-17)21(24)27-13-15-6-9-18(10-7-15)28(25,26)14-16-4-2-1-3-5-16/h1-12,23H,13-14H2