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

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

Systemtic Name:7-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]heptanoic acid
Openeye Name:7-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)heptanoic acid
CAS Name:7-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)heptanoic acid
IUPAC Name:7-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)heptanoic acid
Traditional Name:7-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)enanthic acid
Formula: C14H14F3NO2S
MolecularWeight: 317.32667
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H14F3NO2S/c15-8-7-9(16)14-13(12(8)17)18-10(21-14)5-3-1-2-4-6-11(19)20/h7H,1-6H2,(H,19,20)


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