2-fluoranyl-5-(4-fluoranyl-3-sulfo-phenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-fluoranyl-5-(4-fluoranyl-3-sulfo-phenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-fluoro-5-(4-fluoro-3-sulfo-benzoyl)benzenesulfonic acid CAS Name: 2-fluoro-5-[(4-fluoro-3-sulfophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-fluoro-5-(4-fluoro-3-sulfobenzoyl)benzenesulfonic acid Traditional Name: 2-fluoro-5-(4-fluoro-3-sulfo-benzoyl)besylic acid Formula: C13H8F2O7S2 MolecularWeight: 378.325226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)O)S(=O)(=O)O)F

InChI

InChI=1S/C13H8F2O7S2/c14-9-3-1-7(5-11(9)23(17,18)19)13(16)8-2-4-10(15)12(6-8)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)