[3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylidenepropoxy)phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-methyl-5-(3-oxopropoxy)phenyl] ester IUPAC Name: [3-methyl-5-(3-oxopropoxy)phenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-(3-ketopropoxy)-5-methyl-phenyl] ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCC=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OCCC=O

InChI

InChI=1S/C17H15NO5S/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/h2-3,5-7,9-11H,4,8H2,1H3