5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-sulfooxy-benzoic acid

Systemtic Name: 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-sulfooxy-benzoic acid Openeye Name: 5-(2,4-difluorophenyl)-2-hydroxy-3-sulfooxy-benzoic acid CAS Name: 5-(2,4-difluorophenyl)-2-hydroxy-3-sulfooxybenzoic acid IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxy-3-sulfooxybenzoic acid Traditional Name: 5-(2,4-difluorophenyl)-2-hydroxy-3-sulfoxy-benzoic acid Formula: C13H8F2O7S MolecularWeight: 346.260226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C2=CC(=C(C(=C2)OS(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)C2=CC(=C(C(=C2)OS(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C13H8F2O7S/c14-7-1-2-8(10(15)5-7)6-3-9(13(17)18)12(16)11(4-6)22-23(19,20)21/h1-5,16H,(H,17,18)(H,19,20,21)