O-methyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioate

Systemtic Name: O-methyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioate Openeye Name: O-methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioate CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanethioic acid O-methyl ester IUPAC Name: O-methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanethioate Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanethioic acid O-methyl ester Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)CCC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=S)CCC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClF3NO4S/c1-25-16(27)7-2-10-8-12(4-5-14(10)22(23)24)26-15-6-3-11(9-13(15)18)17(19,20)21/h3-6,8-9H,2,7H2,1H3