S-cyclopropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate

Systemtic Name: S-cyclopropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate Openeye Name: S-cyclopropyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioic acid S-cyclopropyl ester IUPAC Name: S-cyclopropyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioic acid S-cyclopropyl ester Formula: C18H13ClF3NO4S MolecularWeight: 431.81333

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1SC(=O)CC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1SC(=O)CC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClF3NO4S/c19-14-9-11(18(20,21)22)1-6-16(14)27-12-2-5-15(23(25)26)10(7-12)8-17(24)28-13-3-4-13/h1-2,5-7,9,13H,3-4,8H2