[4-(1,3-dithian-2-yl)phenyl] benzoate

Systemtic Name: [4-(1,3-dithian-2-yl)phenyl] benzoate Openeye Name: [4-(1,3-dithian-2-yl)phenyl] benzoate CAS Name: benzoic acid [4-(1,3-dithian-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithian-2-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(1,3-dithian-2-yl)phenyl] ester Formula: C17H16O2S2 MolecularWeight: 316.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16O2S2/c18-16(13-5-2-1-3-6-13)19-15-9-7-14(8-10-15)17-20-11-4-12-21-17/h1-3,5-10,17H,4,11-12H2