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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-cyanobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H13NO2S2 MolecularWeight: 327.42062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO2S2/c18-11-12-1-3-13(4-2-12)16(19)20-15-7-5-14(6-8-15)17-21-9-10-22-17/h1-8,17H,9-10H2