2-fluoranyl-5-[(4-fluoranyl-3-sulfo-phenyl)-(4-fluorophenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 2-fluoranyl-5-[(4-fluoranyl-3-sulfo-phenyl)-(4-fluorophenyl)phosphanyl]benzenesulfonic acid Openeye Name: 2-fluoro-5-[(4-fluorophenyl)-(4-fluoro-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid CAS Name: 2-fluoro-5-[(4-fluorophenyl)-(4-fluoro-3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 2-fluoro-5-[(4-fluorophenyl)-(4-fluoro-3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 2-fluoro-5-[(4-fluorophenyl)-(4-fluoro-3-sulfo-phenyl)phosphino]besylic acid Formula: C18H12F3O6PS2 MolecularWeight: 476.383251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)P(C2=CC(=C(C=C2)F)S(=O)(=O)O)C3=CC(=C(C=C3)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)P(C2=CC(=C(C=C2)F)S(=O)(=O)O)C3=CC(=C(C=C3)F)S(=O)(=O)O

InChI

InChI=1S/C18H12F3O6PS2/c19-11-1-3-12(4-2-11)28(13-5-7-15(20)17(9-13)29(22,23)24)14-6-8-16(21)18(10-14)30(25,26)27/h1-10H,(H,22,23,24)(H,25,26,27)