[4-(3-oxidanylidenebutyl)phenyl] 3-cyanobenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 3-cyanobenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H15NO4S/c1-13(19)5-6-14-7-9-16(10-8-14)22-23(20,21)17-4-2-3-15(11-17)12-18/h2-4,7-11H,5-6H2,1H3