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

Systemtic Name: 5-bromanyl-3-[3-(3-methanoylphenyl)phenyl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-3-[3-(3-formylphenyl)phenyl]sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-3-[3-(3-formylphenyl)phenyl]sulfonyl-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-3-[3-(3-formylphenyl)phenyl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-3-[3-(3-formylphenyl)phenyl]sulfonyl-2-thenoic acid Formula: C18H11BrO5S2 MolecularWeight: 451.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C=O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)Br)C(=O)O

InChI

InChI=1S/C18H11BrO5S2/c19-16-9-15(17(25-16)18(21)22)26(23,24)14-6-2-5-13(8-14)12-4-1-3-11(7-12)10-20/h1-10H,(H,21,22)