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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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