[4-(1,3-dithiolan-2-yl)phenyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H15BrO3S2 MolecularWeight: 411.3332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H15BrO3S2/c1-20-13-6-7-15(18)14(10-13)16(19)21-12-4-2-11(3-5-12)17-22-8-9-23-17/h2-7,10,17H,8-9H2,1H3