[4-(1,3-dithiolan-2-yl)phenyl] 2-(2-bromanyl-4-methyl-phenoxy)ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(2-bromanyl-4-methyl-phenoxy)ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(2-bromo-4-methyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-methylphenoxy)acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(2-bromo-4-methylphenoxy)acetate Traditional Name: 2-(2-bromo-4-methyl-phenoxy)acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H17BrO3S2 MolecularWeight: 425.35978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C3SCCS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C3SCCS3)Br

InChI

InChI=1S/C18H17BrO3S2/c1-12-2-7-16(15(19)10-12)21-11-17(20)22-14-5-3-13(4-6-14)18-23-8-9-24-18/h2-7,10,18H,8-9,11H2,1H3