ethyl 4-[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]phenoxy]butanoate

Systemtic Name: ethyl 4-[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]phenoxy]butanoate Openeye Name: ethyl 4-[4-[1-hydroxy-1-(trifluoromethyl)propyl]phenoxy]butanoate CAS Name: 4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenoxy]butanoate Traditional Name: 4-[4-[1-hydroxy-1-(trifluoromethyl)propyl]phenoxy]butyric acid ethyl ester Formula: C16H21F3O4 MolecularWeight: 334.33075

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCCCC(=O)OCC)(C(F)(F)F)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)OCCCC(=O)OCC)(C(F)(F)F)O

InChI

InChI=1S/C16H21F3O4/c1-3-15(21,16(17,18)19)12-7-9-13(10-8-12)23-11-5-6-14(20)22-4-2/h7-10,21H,3-6,11H2,1-2H3