cyanomethyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: cyanomethyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: cyanomethyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid cyanomethyl ester Formula: C12H11NO2S2 MolecularWeight: 265.35124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C12H11NO2S2/c13-5-6-15-11(14)9-1-3-10(4-2-9)12-16-7-8-17-12/h1-4,12H,6-8H2