disodium 2-fluoranyl-5-(4-fluoranyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate

Systemtic Name: disodium 2-fluoranyl-5-(4-fluoranyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate Openeye Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonato-phenyl)sulfonyl-benzenesulfonate CAS Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonatophenyl)sulfonylbenzenesulfonate IUPAC Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonatophenyl)sulfonylbenzenesulfonate Traditional Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonato-phenyl)sulfonyl-besylate Formula: C12H6F2Na2O8S3 MolecularWeight: 458.342586

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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.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[Na+]

InChI

InChI=1S/C12H8F2O8S3.2Na/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);;/q;2*+1/p-2