6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-oxo-hexanoic acid CAS Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-oxohexanoic acid IUPAC Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-oxohexanoic acid Traditional Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-keto-hexanoic acid Formula: C13H13F2NO5 MolecularWeight: 301.242826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCCCC(=O)O)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCCCC(=O)O)OC(O2)(F)F

InChI

InChI=1S/C13H13F2NO5/c14-13(15)20-9-6-5-8(7-10(9)21-13)16-11(17)3-1-2-4-12(18)19/h5-7H,1-4H2,(H,16,17)(H,18,19)