2-(2-acetyloxyethyldisulfanyl)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-(2-acetyloxyethyldisulfanyl)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-(2-acetoxyethyldisulfanyl)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(2-acetyloxyethyldisulfanyl)ethyl ester IUPAC Name: 2-(2-acetyloxyethyldisulfanyl)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(2-acetoxyethyldisulfanyl)ethyl ester Formula: C20H17ClF3NO7S2 MolecularWeight: 539.92969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3NO7S2/c1-12(26)30-6-8-33-34-9-7-31-19(27)15-11-14(3-4-17(15)25(28)29)32-18-5-2-13(10-16(18)21)20(22,23)24/h2-5,10-11H,6-9H2,1H3