3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioic S-acid

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioic S-acid Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioic S-acid CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanethioic S-acid IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanethioic S-acid Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]thiopropionic acid Formula: C16H11ClF3NO4S MolecularWeight: 405.77605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3NO4S/c17-12-8-10(16(18,19)20)2-5-14(12)25-11-3-4-13(21(23)24)9(7-11)1-6-15(22)26/h2-5,7-8H,1,6H2,(H,22,26)