3-[5,6-bis(fluoranyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5,6-bis(fluoranyl)-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-(5,6-difluoro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(5,6-difluoro-2H-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5,6-difluoro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5,6-difluoro-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C10H11F2NO3S2 MolecularWeight: 295.326046

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=CC(=C(C=C2S1)F)F)CCCS(=O)(=O)O

Isomeric SMILES

C1N(C2=CC(=C(C=C2S1)F)F)CCCS(=O)(=O)O

InChI

InChI=1S/C10H11F2NO3S2/c11-7-4-9-10(5-8(7)12)17-6-13(9)2-1-3-18(14,15)16/h4-5H,1-3,6H2,(H,14,15,16)