3-(5-fluoranyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-fluoranyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-fluoro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(5-fluoro-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-fluoro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-fluoro-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C10H11FNO3S2+ MolecularWeight: 276.327643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)[N+](=CS2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)[N+](=CS2)CCCS(=O)(=O)O

InChI

InChI=1S/C10H10FNO3S2/c11-8-2-3-10-9(6-8)12(7-16-10)4-1-5-17(13,14)15/h2-3,6-7H,1,4-5H2/p+1