2-prop-2-ynylsulfanylethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: 2-prop-2-ynylsulfanylethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 2-prop-2-ynylsulfanylethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid 2-(prop-2-ynylthio)ethyl ester IUPAC Name: 2-prop-2-ynylsulfanylethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid 2-(propargylthio)ethyl ester Formula: C20H15ClF3NO5S MolecularWeight: 473.85001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClF3NO5S/c1-2-8-31-9-7-29-19(26)11-13-10-15(4-5-17(13)25(27)28)30-18-6-3-14(12-16(18)21)20(22,23)24/h1,3-6,10,12H,7-9,11H2