6-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]hexanoic acid

Systemtic Name: 6-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]hexanoic acid Openeye Name: 6-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)hexanoic acid CAS Name: 6-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)hexanoic acid IUPAC Name: 6-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)hexanoic acid Traditional Name: 6-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)hexanoic acid Formula: C13H12F3NO2S MolecularWeight: 303.30009

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=C1F)SC(=N2)CCCCCC(=O)O)F)F

Isomeric SMILES

C1=C(C(=C2C(=C1F)SC(=N2)CCCCCC(=O)O)F)F

InChI

InChI=1S/C13H12F3NO2S/c14-7-6-8(15)13-12(11(7)16)17-9(20-13)4-2-1-3-5-10(18)19/h6H,1-5H2,(H,18,19)