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

Systemtic Name: 2-[3-bromanyl-5-methoxy-4-[5-methyl-2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Openeye Name: 2-[3-bromo-5-methoxy-4-[5-methyl-2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane CAS Name: 2-[3-bromo-5-methoxy-4-[5-methyl-2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane IUPAC Name: 2-[3-bromo-5-methoxy-4-[5-methyl-2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Traditional Name: 2-[3-bromo-5-methoxy-4-[5-methyl-2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,3-dithiolane Formula: C18H15BrF3NO4S2 MolecularWeight: 510.34521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])OC2=C(C=C(C=C2Br)C3SCCS3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])OC2=C(C=C(C=C2Br)C3SCCS3)OC

InChI

InChI=1S/C18H15BrF3NO4S2/c1-9-5-14(13(23(24)25)8-11(9)18(20,21)22)27-16-12(19)6-10(7-15(16)26-2)17-28-3-4-29-17/h5-8,17H,3-4H2,1-2H3