[5-(4-cyanophenyl)carbonyloxy-1,2-dithian-4-yl] 4-cyanobenzoate

Systemtic Name: [5-(4-cyanophenyl)carbonyloxy-1,2-dithian-4-yl] 4-cyanobenzoate Openeye Name: [5-(4-cyanobenzoyl)oxydithian-4-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [5-[(4-cyanophenyl)-oxomethoxy]-4-dithianyl] ester IUPAC Name: [5-(4-cyanobenzoyl)oxydithian-4-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [5-(4-cyanobenzoyl)oxydithian-4-yl] ester Formula: C20H14N2O4S2 MolecularWeight: 410.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CSS1)OC(=O)C2=CC=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(C(CSS1)OC(=O)C2=CC=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H14N2O4S2/c21-9-13-1-5-15(6-2-13)19(23)25-17-11-27-28-12-18(17)26-20(24)16-7-3-14(10-22)4-8-16/h1-8,17-18H,11-12H2