[3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-methyl-5-[(1-methylolcyclopropyl)methoxy]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)OCC3(CC3)CO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCC3(CC3)CO

InChI

InChI=1S/C19H19NO5S/c1-14-8-16(24-13-19(12-21)6-7-19)10-17(9-14)25-26(22,23)18-5-3-2-4-15(18)11-20/h2-5,8-10,21H,6-7,12-13H2,1H3