2-[3-bromanyl-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane

Systemtic Name: 2-[3-bromanyl-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Openeye Name: 2-[3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane CAS Name: 2-[3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane IUPAC Name: 2-[3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Traditional Name: 2-[3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Formula: C17H13BrF3NO4S2 MolecularWeight: 496.31863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C2SCCS2)Br)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrF3NO4S2/c1-25-14-7-9(16-27-4-5-28-16)6-11(18)15(14)26-13-3-2-10(17(19,20)21)8-12(13)22(23)24/h2-3,6-8,16H,4-5H2,1H3