[4-(1,3-dithiolan-2-yl)phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-cyanobenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H13NO3S3 MolecularWeight: 363.47432

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H13NO3S3/c17-11-13-3-1-2-4-15(13)23(18,19)20-14-7-5-12(6-8-14)16-21-9-10-22-16/h1-8,16H,9-10H2