4-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate

Systemtic Name: 4-[4-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate Openeye Name: 4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate CAS Name: 4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate IUPAC Name: 4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]pentanoate Traditional Name: 4-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]valerate Formula: C18H15ClF3O4- MolecularWeight: 387.75751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(CCC(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3O4/c1-11(2-9-17(23)24)25-13-4-6-14(7-5-13)26-16-8-3-12(10-15(16)19)18(20,21)22/h3-8,10-11H,2,9H2,1H3,(H,23,24)/p-1