[3-(4-acetamidophenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-acetamidophenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-acetamidophenoxy)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-acetamidophenoxy)-2-hydroxypropyl] ester IUPAC Name: [3-(4-acetamidophenoxy)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-acetamidophenoxy)-2-hydroxy-propyl] ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=C(C=C2)NC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=CC=C(C=C2)NC(=O)C)O

InChI

InChI=1S/C18H21NO6S/c1-13-3-9-18(10-4-13)26(22,23)25-12-16(21)11-24-17-7-5-15(6-8-17)19-14(2)20/h3-10,16,21H,11-12H2,1-2H3,(H,19,20)