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

Systemtic Name: S-prop-2-ynyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate Openeye Name: S-prop-2-ynyl 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-prop-2-ynyl ester IUPAC Name: S-prop-2-ynyl 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-propargyl ester Formula: C18H11ClF3NO4S MolecularWeight: 429.79745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClF3NO4S/c1-2-7-28-17(24)9-11-8-13(4-5-15(11)23(25)26)27-16-6-3-12(10-14(16)19)18(20,21)22/h1,3-6,8,10H,7,9H2