[4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate Openeye Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H21BrO2S2 MolecularWeight: 437.41354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C3SCCS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C3SCCS3

InChI

InChI=1S/C20H21BrO2S2/c1-20(2,3)14-6-4-13(5-7-14)18(22)23-17-9-8-15(21)12-16(17)19-24-10-11-25-19/h4-9,12,19H,10-11H2,1-3H3