3-cyanopentan-3-yl 4-chloranylbenzenesulfinate

Systemtic Name: 3-cyanopentan-3-yl 4-chloranylbenzenesulfinate Openeye Name: (1-cyano-1-ethyl-propyl) 4-chlorobenzenesulfinate CAS Name: 4-chlorobenzenesulfinic acid 3-cyanopentan-3-yl ester IUPAC Name: 3-cyanopentan-3-yl 4-chlorobenzenesulfinate Traditional Name: 4-chlorobenzenesulfinic acid (1-cyano-1-ethyl-propyl) ester Formula: C12H14ClNO2S MolecularWeight: 271.76306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO2S/c1-3-12(4-2,9-14)16-17(15)11-7-5-10(13)6-8-11/h5-8H,3-4H2,1-2H3