[2-[1-(3-methylphenoxy)-1-oxidanyl-ethyl]cyclopropyl] 2-cyanobenzenesulfonate

Systemtic Name: [2-[1-(3-methylphenoxy)-1-oxidanyl-ethyl]cyclopropyl] 2-cyanobenzenesulfonate Openeye Name: [2-[1-hydroxy-1-(3-methylphenoxy)ethyl]cyclopropyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [2-[1-hydroxy-1-(3-methylphenoxy)ethyl]cyclopropyl] ester IUPAC Name: [2-[1-hydroxy-1-(3-methylphenoxy)ethyl]cyclopropyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [2-[1-hydroxy-1-(3-methylphenoxy)ethyl]cyclopropyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)(C2CC2OS(=O)(=O)C3=CC=CC=C3C#N)O

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)(C2CC2OS(=O)(=O)C3=CC=CC=C3C#N)O

InChI

InChI=1S/C19H19NO5S/c1-13-6-5-8-15(10-13)24-19(2,21)16-11-17(16)25-26(22,23)18-9-4-3-7-14(18)12-20/h3-10,16-17,21H,11H2,1-2H3