tripotassium 4-[3-(2-fluoranylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[3-(2-fluoranylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(2-fluorophenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-(2-fluorophenoxy)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(2-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(2-fluorophenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C16H15FK3O7PS MolecularWeight: 518.618164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FO7PS.3K/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23;;;/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23);;;/q;3*+1/p-3