[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-cyanobenzenesulfonate hydrochloride

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-cyanobenzenesulfonate hydrochloride Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-cyanobenzenesulfonate hydrochloride CAS Name: 2-cyanobenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester hydrochloride IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-cyanobenzenesulfonate hydrochloride Traditional Name: 2-cyanobenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester hydrochloride Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCO.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCCO.Cl

InChI

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