(4-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (4-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-cyanobenzyl) ester Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15NO2S2/c19-11-13-1-3-14(4-2-13)12-21-17(20)15-5-7-16(8-6-15)18-22-9-10-23-18/h1-8,18H,9-10,12H2