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

Systemtic Name: prop-2-ynylsulfanylmethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: prop-2-ynylsulfanylmethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid (prop-2-ynylthio)methyl ester IUPAC Name: prop-2-ynylsulfanylmethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid (propargylthio)methyl ester Formula: C19H13ClF3NO5S MolecularWeight: 459.82343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3NO5S/c1-2-7-30-11-28-18(25)9-12-8-14(4-5-16(12)24(26)27)29-17-6-3-13(10-15(17)20)19(21,22)23/h1,3-6,8,10H,7,9,11H2