propan-2-ylsulfanylmethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: propan-2-ylsulfanylmethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: isopropylsulfanylmethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid (propan-2-ylthio)methyl ester IUPAC Name: propan-2-ylsulfanylmethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid (isopropylthio)methyl ester Formula: C19H17ClF3NO5S MolecularWeight: 463.85519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3NO5S/c1-11(2)30-10-28-18(25)8-12-7-14(4-5-16(12)24(26)27)29-17-6-3-13(9-15(17)20)19(21,22)23/h3-7,9,11H,8,10H2,1-2H3