6-[[3,4-bis(fluoranyl)phenyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[3,4-bis(fluoranyl)phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3,4-difluoroanilino)-6-oxo-hexanoic acid CAS Name: 6-(3,4-difluoroanilino)-6-oxohexanoic acid IUPAC Name: 6-(3,4-difluoroanilino)-6-oxohexanoic acid Traditional Name: 6-(3,4-difluoroanilino)-6-keto-hexanoic acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)F)F

InChI

InChI=1S/C12H13F2NO3/c13-9-6-5-8(7-10(9)14)15-11(16)3-1-2-4-12(17)18/h5-7H,1-4H2,(H,15,16)(H,17,18)