[(E)-1-(4-fluoranylphenoxy)-5-oxidanyl-pent-3-en-2-yl] ethanoate; 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(4-fluoranylphenoxy)-5-oxidanyl-pent-3-en-2-yl] ethanoate; 4-methylbenzenesulfonate Openeye Name: [(E)-1-[(4-fluorophenoxy)methyl]-4-hydroxy-but-2-enyl] acetate; 4-methylbenzenesulfonate CAS Name: acetic acid [(E)-1-(4-fluorophenoxy)-5-hydroxypent-3-en-2-yl] ester; 4-methylbenzenesulfonate IUPAC Name: [(E)-1-(4-fluorophenoxy)-5-hydroxypent-3-en-2-yl] acetate; 4-methylbenzenesulfonate Traditional Name: acetic acid [(E)-1-[(4-fluorophenoxy)methyl]-4-hydroxy-but-2-enyl] ester tosylate Formula: C20H22FO7S- MolecularWeight: 425.447883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FO4.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/h2-7,13,15H,8-9H2,1H3;2-5H,1H3,(H,8,9,10)/p-1/b3-2+;