potassium 4-[3-[3,5-bis(fluoranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[3-[3,5-bis(fluoranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[3-(3,5-difluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[3-(3,5-difluorophenoxy)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[3-(3,5-difluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[3-(3,5-difluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C16H16F2KO7PS MolecularWeight: 460.427907

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)F)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)F)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C16H17F2O7PS.K/c17-12-8-13(18)10-15(9-12)25-14-5-1-3-11(7-14)4-2-6-16(26(19,20)21)27(22,23)24;/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24);/q;+1/p-1