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

Systemtic Name: 2-fluoranyl-5-(4-fluoranyl-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid Openeye Name: 2-fluoro-5-(4-fluoro-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid CAS Name: 2-fluoro-5-(4-fluoro-3-sulfophenyl)sulfonylbenzenesulfonic acid IUPAC Name: 2-fluoro-5-(4-fluoro-3-sulfophenyl)sulfonylbenzenesulfonic acid Traditional Name: 2-fluoro-5-(4-fluoro-3-sulfo-phenyl)sulfonyl-besylic acid Formula: C12H8F2O8S3 MolecularWeight: 414.378926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)S(=O)(=O)O)S(=O)(=O)O)F

InChI

InChI=1S/C12H8F2O8S3/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)