2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfanium

Systemtic Name: 2-bromanyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfanium Openeye Name: 2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfonium CAS Name: 2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfonium IUPAC Name: 2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfanium Traditional Name: 2-bromo-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate; trimethylsulfonium Formula: C17H15BrClF3O3S MolecularWeight: 471.71641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C[S+](C)C.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C14H7BrClF3O3.C3H9S/c15-10-3-2-8(6-9(10)13(20)21)22-12-4-1-7(5-11(12)16)14(17,18)19;1-4(2)3/h1-6H,(H,20,21);1-3H3/q;+1/p-1