[3-(3-methylphenoxy)-3-oxidanyl-propyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-(3-methylphenoxy)-3-oxidanyl-propyl] 2-cyanobenzenesulfonate Openeye Name: [3-hydroxy-3-(3-methylphenoxy)propyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester IUPAC Name: [3-hydroxy-3-(3-methylphenoxy)propyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(CCOS(=O)(=O)C2=CC=CC=C2C#N)O

Isomeric SMILES

CC1=CC(=CC=C1)OC(CCOS(=O)(=O)C2=CC=CC=C2C#N)O

InChI

InChI=1S/C17H17NO5S/c1-13-5-4-7-15(11-13)23-17(19)9-10-22-24(20,21)16-8-3-2-6-14(16)12-18/h2-8,11,17,19H,9-10H2,1H3