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

Systemtic Name: S-propan-2-yl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate Openeye Name: S-isopropyl 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-propan-2-yl ester IUPAC Name: S-propan-2-yl 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-isopropyl ester Formula: C18H15ClF3NO4S MolecularWeight: 433.82921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3NO4S/c1-10(2)28-17(24)8-11-7-13(4-5-15(11)23(25)26)27-16-6-3-12(9-14(16)19)18(20,21)22/h3-7,9-10H,8H2,1-2H3