potassium 4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C16H16F2KO7PS MolecularWeight: 460.427907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-])F.[K+]

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-])F.[K+]

InChI

InChI=1S/C16H17F2O7PS.K/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24;/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24);/q;+1/p-1