1-cyanopentyl 4-methylbenzenesulfonate

Systemtic Name: 1-cyanopentyl 4-methylbenzenesulfonate Openeye Name: 1-cyanopentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-cyanopentyl ester IUPAC Name: 1-cyanopentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-cyanopentyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-4-5-12(10-14)17-18(15,16)13-8-6-11(2)7-9-13/h6-9,12H,3-5H2,1-2H3