5-bromanyl-4-[3-(2-methylphenyl)phenyl]sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[3-(2-methylphenyl)phenyl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[3-(o-tolyl)phenyl]sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[3-(2-methylphenyl)phenyl]sulfonyl-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[3-(2-methylphenyl)phenyl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[3-(o-tolyl)phenyl]sulfonyl-2-thenoic acid Formula: C18H13BrO4S2 MolecularWeight: 437.32742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=O)O)Br

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=O)O)Br

InChI

InChI=1S/C18H13BrO4S2/c1-11-5-2-3-8-14(11)12-6-4-7-13(9-12)25(22,23)16-10-15(18(20)21)24-17(16)19/h2-10H,1H3,(H,20,21)