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

Systemtic Name: disodium 2-fluoranyl-5-(4-fluoranyl-3-sulfonato-phenyl)carbonyl-benzenesulfonate Openeye Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonato-benzoyl)benzenesulfonate CAS Name: disodium 2-fluoro-5-[(4-fluoro-3-sulfonatophenyl)-oxomethyl]benzenesulfonate IUPAC Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonatobenzoyl)benzenesulfonate Traditional Name: disodium 2-fluoro-5-(4-fluoro-3-sulfonato-benzoyl)besylate Formula: C13H6F2Na2O7S2 MolecularWeight: 422.288886

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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.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[Na+]

InChI

InChI=1S/C13H8F2O7S2.2Na/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);;/q;2*+1/p-2