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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-bromanylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H13BrO2S2 MolecularWeight: 381.30722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrO2S2/c17-13-3-1-2-12(10-13)15(18)19-14-6-4-11(5-7-14)16-20-8-9-21-16/h1-7,10,16H,8-9H2