[1-(4-fluoranylphenoxy)-5-oxidanyl-pentan-2-yl] ethanoate; 4-methylbenzenesulfonate

Systemtic Name: [1-(4-fluoranylphenoxy)-5-oxidanyl-pentan-2-yl] ethanoate; 4-methylbenzenesulfonate Openeye Name: [1-[(4-fluorophenoxy)methyl]-4-hydroxy-butyl] acetate; 4-methylbenzenesulfonate CAS Name: acetic acid [1-(4-fluorophenoxy)-5-hydroxypentan-2-yl] ester; 4-methylbenzenesulfonate IUPAC Name: [1-(4-fluorophenoxy)-5-hydroxypentan-2-yl] acetate; 4-methylbenzenesulfonate Traditional Name: acetic acid [1-[(4-fluorophenoxy)methyl]-4-hydroxy-butyl] ester tosylate Formula: C20H24FO7S- MolecularWeight: 427.463763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC(CCCO)COC1=CC=C(C=C1)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC(CCCO)COC1=CC=C(C=C1)F

InChI

InChI=1S/C13H17FO4.C7H8O3S/c1-10(16)18-13(3-2-8-15)9-17-12-6-4-11(14)5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,13,15H,2-3,8-9H2,1H3;2-5H,1H3,(H,8,9,10)/p-1