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

Systemtic Name: potassium 4-[5-(4-fluoranylphenoxy)-2-methyl-phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-[5-(4-fluorophenoxy)-2-methyl-phenyl]-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-[5-(4-fluorophenoxy)-2-methylphenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[5-(4-fluorophenoxy)-2-methylphenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-[5-(4-fluorophenoxy)-2-methyl-phenyl]-1-phosphono-butane-1-sulfonate Formula: C17H19FKO7PS MolecularWeight: 456.464024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)F)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C17H20FO7PS.K/c1-12-5-8-16(25-15-9-6-14(18)7-10-15)11-13(12)3-2-4-17(26(19,20)21)27(22,23)24;/h5-11,17H,2-4H2,1H3,(H2,19,20,21)(H,22,23,24);/q;+1/p-1