O-methyl 4-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanethioate

Systemtic Name: O-methyl 4-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanethioate Openeye Name: O-methyl 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanethioate CAS Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]butanethioic acid O-methyl ester IUPAC Name: O-methyl 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]butanethioate Traditional Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]butanethioic acid O-methyl ester Formula: C18H15ClF3NO5S MolecularWeight: 449.82861

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)CCCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=S)CCCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3NO5S/c1-26-17(29)3-2-8-27-16-10-12(5-6-14(16)23(24)25)28-15-7-4-11(9-13(15)19)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3