[1-(2-cyanophenoxy)-2-oxidanyl-propyl] 2-methylbenzenesulfonate

Systemtic Name: [1-(2-cyanophenoxy)-2-oxidanyl-propyl] 2-methylbenzenesulfonate Openeye Name: [1-(2-cyanophenoxy)-2-hydroxy-propyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [1-(2-cyanophenoxy)-2-hydroxypropyl] ester IUPAC Name: [1-(2-cyanophenoxy)-2-hydroxypropyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [1-(2-cyanophenoxy)-2-hydroxy-propyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC(C(C)O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC(C(C)O)OC2=CC=CC=C2C#N

InChI

InChI=1S/C17H17NO5S/c1-12-7-3-6-10-16(12)24(20,21)23-17(13(2)19)22-15-9-5-4-8-14(15)11-18/h3-10,13,17,19H,1-2H3