potassium (1R)-4-[3-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium (1R)-4-[3-(4-fluoranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium (1R)-4-[3-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium (1R)-4-[3-(4-fluorophenoxy)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium (1R)-4-[3-(4-fluorophenoxy)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium (1R)-4-[3-(4-fluorophenoxy)phenyl]-1-phosphono-butane-1-sulfonate Formula: C16H17FKO7PS MolecularWeight: 442.437444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FO7PS.K/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23;/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23);/q;+1/p-1/t16-;/m1./s1