1-cyanopropyl benzenesulfonate

Systemtic Name: 1-cyanopropyl benzenesulfonate Openeye Name: 1-cyanopropyl benzenesulfonate CAS Name: benzenesulfonic acid 1-cyanopropyl ester IUPAC Name: 1-cyanopropyl benzenesulfonate Traditional Name: benzenesulfonic acid 1-cyanopropyl ester Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C#N)OS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11NO3S/c1-2-9(8-11)14-15(12,13)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3