[(2S)-3-(5-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(5-chloranyl-2-cyano-phenoxy)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(5-chloro-2-cyano-phenoxy)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-(5-chloro-2-cyanophenoxy)-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-(5-chloro-2-cyanophenoxy)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-(5-chloro-2-cyano-phenoxy)-2-hydroxy-propyl] ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC2=C(C=CC(=C2)Cl)C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC2=C(C=CC(=C2)Cl)C#N)O

InChI

InChI=1S/C17H16ClNO5S/c1-12-2-6-16(7-3-12)25(21,22)24-11-15(20)10-23-17-8-14(18)5-4-13(17)9-19/h2-8,15,20H,10-11H2,1H3/t15-/m0/s1