1-cyanopropyl 4-methylbenzenesulfonate

Systemtic Name: 1-cyanopropyl 4-methylbenzenesulfonate Openeye Name: 1-cyanopropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-cyanopropyl ester IUPAC Name: 1-cyanopropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-cyanopropyl ester Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-3-10(8-12)15-16(13,14)11-6-4-9(2)5-7-11/h4-7,10H,3H2,1-2H3