[3-(1-cyclopropyl-1-oxidanyl-ethoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-(1-cyclopropyl-1-oxidanyl-ethoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-(1-cyclopropyl-1-hydroxy-ethoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-(1-cyclopropyl-1-hydroxyethoxy)-5-methylphenyl] ester IUPAC Name: [3-(1-cyclopropyl-1-hydroxyethoxy)-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-(1-cyclopropyl-1-hydroxy-ethoxy)-5-methyl-phenyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OC(C)(C3CC3)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OC(C)(C3CC3)O

InChI

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