5-bromanyl-4-[2-(4-methylphenyl)-1-sulfonyl-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-bromanyl-4-[2-(4-methylphenyl)-1-sulfonyl-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-2-hydroxy-4-[2-(p-tolyl)-1-sulfonyl-ethoxy]benzoic acid CAS Name: 5-bromo-2-hydroxy-4-[2-(4-methylphenyl)-1-sulfonylethoxy]benzoic acid IUPAC Name: 5-bromo-2-hydroxy-4-[2-(4-methylphenyl)-1-sulfonylethoxy]benzoic acid Traditional Name: 5-bromo-2-hydroxy-4-[2-(p-tolyl)-1-sulfonyl-ethoxy]benzoic acid Formula: C16H13BrO6S MolecularWeight: 413.23982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=S(=O)=O)OC2=C(C=C(C(=C2)O)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)CC(=S(=O)=O)OC2=C(C=C(C(=C2)O)C(=O)O)Br

InChI

InChI=1S/C16H13BrO6S/c1-9-2-4-10(5-3-9)6-15(24(21)22)23-14-8-13(18)11(16(19)20)7-12(14)17/h2-5,7-8,18H,6H2,1H3,(H,19,20)