1-cyanoethyl benzenesulfonate

Systemtic Name: 1-cyanoethyl benzenesulfonate Openeye Name: 1-cyanoethyl benzenesulfonate CAS Name: benzenesulfonic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl benzenesulfonate Traditional Name: benzenesulfonic acid 1-cyanoethyl ester Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3S/c1-8(7-10)13-14(11,12)9-5-3-2-4-6-9/h2-6,8H,1H3