6-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-chloro-6-(trifluoromethyl)anilino]-6-oxo-hexanoic acid CAS Name: 6-[2-chloro-6-(trifluoromethyl)anilino]-6-oxohexanoic acid IUPAC Name: 6-[2-chloro-6-(trifluoromethyl)anilino]-6-oxohexanoic acid Traditional Name: 6-[2-chloro-6-(trifluoromethyl)anilino]-6-keto-hexanoic acid Formula: C13H13ClF3NO3 MolecularWeight: 323.69543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)NC(=O)CCCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)NC(=O)CCCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H13ClF3NO3/c14-9-5-3-4-8(13(15,16)17)12(9)18-10(19)6-1-2-7-11(20)21/h3-5H,1-2,6-7H2,(H,18,19)(H,20,21)