2-[2-butoxycarbonyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]propanoate

Systemtic Name: 2-[2-butoxycarbonyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Openeye Name: 2-[2-butoxycarbonyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate CAS Name: 2-[2-[butoxy(oxo)methyl]-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate IUPAC Name: 2-[2-butoxycarbonyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Traditional Name: 2-[2-butoxycarbonyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propionate Formula: C21H19ClF3O6- MolecularWeight: 459.82017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C)C(=O)[O-]

InChI

InChI=1S/C21H20ClF3O6/c1-3-4-9-29-20(28)15-7-6-14(11-18(15)30-12(2)19(26)27)31-17-8-5-13(10-16(17)22)21(23,24)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,26,27)/p-1