[1-(3-fluoranylphenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [1-(3-fluoranylphenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [1-(3-fluorophenoxy)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(3-fluorophenoxy)-2-hydroxypropyl] ester IUPAC Name: [1-(3-fluorophenoxy)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-fluorophenoxy)-2-hydroxy-propyl] ester Formula: C16H17FO5S MolecularWeight: 340.366583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)O)OC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)O)OC2=CC(=CC=C2)F

InChI

InChI=1S/C16H17FO5S/c1-11-6-8-15(9-7-11)23(19,20)22-16(12(2)18)21-14-5-3-4-13(17)10-14/h3-10,12,16,18H,1-2H3