4-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenoxy]butyric acid Formula: C12H10F6O3 MolecularWeight: 316.196419

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)OCCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)OCCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H10F6O3/c13-11(14,15)7-4-8(12(16,17)18)6-9(5-7)21-3-1-2-10(19)20/h4-6H,1-3H2,(H,19,20)